4-[5-(1-acetamidoethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(cyclohexanecarbonylamino)methyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane

C70H83Cl3F9N15O6 — CID 162223582

IUPAC4-[5-(1-acetamidoethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(cyclohexanecarbonylamino)methyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane
SMILESC.C.C.C.CC(=O)NC(C)c1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1.CC(=O)NCc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1.O=C(NCc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C25H27ClF3N5O2.C21H21ClF3N5O2.C20H19ClF3N5O2.4CH4/c26-20-12-16(14-32-23(35)18-4-2-1-3-5-18)13-31-22(20)17-8-10-34(11-9-17)24(36)33-21-7-6-19(15-30-21)25(27,28)29;1-12(28-13(2)31)15-9-17(22)19(27-10-15)14-5-7-30(8-6-14)20(32)29-18-4-3-16(11-26-18)21(23,24)25;1-12(30)25-9-13-8-16(21)18(27-10-13)14-4-6-29(7-5-14)19(31)28-17-3-2-15(11-26-17)20(22,23)24;;;;/h6-8,12-13,15,18H,1-5,9-11,14H2,(H,32,35)(H,30,33,36);3-5,9-12H,6-8H2,1-2H3,(H,28,31)(H,26,29,32);2-4,8,10-11H,5-7,9H2,1H3,(H,25,30)(H,26,28,31);4*1H4
InChIKeyZULMNVTVSDWFBM-UHFFFAOYSA-N
MW1507.87 g/mol
LogP16.98
Rot. Bonds13

About 4-[5-(1-acetamidoethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(cyclohexanecarbonylamino)methyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane

4-[5-(1-acetamidoethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(cyclohexanecarbonylamino)methyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane (PubChem CID 162223582) has the molecular formula C70H83Cl3F9N15O6 and a molecular weight of 1507.87 g/mol. Its IUPAC name is 4-[5-(1-acetamidoethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(cyclohexanecarbonylamino)methyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane.

Molecular Properties

Compound Name4-[5-(1-acetamidoethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(cyclohexanecarbonylamino)methyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane
PubChem CID162223582
Molecular FormulaC70H83Cl3F9N15O6
Molecular Weight1507.87 g/mol
Exact Mass1505.56
IUPAC Name4-[5-(1-acetamidoethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(cyclohexanecarbonylamino)methyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane
SMILESC.C.C.C.CC(=O)NC(C)c1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1.CC(=O)NCc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1.O=C(NCc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C25H27ClF3N5O2.C21H21ClF3N5O2.C20H19ClF3N5O2.4CH4/c26-20-12-16(14-32-23(35)18-4-2-1-3-5-18)13-31-22(20)17-8-10-34(11-9-17)24(36)33-21-7-6-19(15-30-21)25(27,28)29;1-12(28-13(2)31)15-9-17(22)19(27-10-15)14-5-7-30(8-6-14)20(32)29-18-4-3-16(11-26-18)21(23,24)25;1-12(30)25-9-13-8-16(21)18(27-10-13)14-4-6-29(7-5-14)19(31)28-17-3-2-15(11-26-17)20(22,23)24;;;;/h6-8,12-13,15,18H,1-5,9-11,14H2,(H,32,35)(H,30,33,36);3-5,9-12H,6-8H2,1-2H3,(H,28,31)(H,26,29,32);2-4,8,10-11H,5-7,9H2,1H3,(H,25,30)(H,26,28,31);4*1H4
InChIKeyZULMNVTVSDWFBM-UHFFFAOYSA-N
XLogP16.98
TPSA261.66 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001507.87
LogP ≤ 516.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 4-[5-(1-acetamidoethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(cyclohexanecarbonylamino)methyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane with MolForge

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Related Compounds

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CID 44576717
N-[[2-[4-(3-chloropyridin-2-yl)-2-methylpiperazin-1-yl]-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 67441528
1-((R)-3-((2'-(trans-4-aminocyclohexylamino)-5'-chloro-2,4'-bipyridin-6-yl-amino)methyl)piperidin-1-yl)ethanone
CID 66937036
1-[(3S)-3-[[[6-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone
CID 68405624
[4-[[5-Chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone
CID 70793948
4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]-N-methylcyclohexane-1-carboxamide
CID 70793954
[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 70794043
1-[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 119099002
2-[3-chloro-6-[[2,2-difluoro-2-(1-hydroxypyridin-1-ium-2-yl)ethyl]amino]-1-hydroxypyridin-1-ium-2-yl]-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 6398473
[1-[5-Chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
CID 89736342
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone
CID 119098944

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-acetamidoethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(cyclohexanecarbonylamino)methyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane?
The IUPAC name of 4-[5-(1-acetamidoethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(cyclohexanecarbonylamino)methyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane (CID 162223582) is 4-[5-(1-acetamidoethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(cyclohexanecarbonylamino)methyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane.
What is the SMILES notation for 4-[5-(1-acetamidoethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(cyclohexanecarbonylamino)methyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane?
The canonical SMILES for 4-[5-(1-acetamidoethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(cyclohexanecarbonylamino)methyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane is C.C.C.C.CC(=O)NC(C)c1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1.CC(=O)NCc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1.O=C(NCc1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1)C1CCCCC1.
What is the InChIKey of 4-[5-(1-acetamidoethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(cyclohexanecarbonylamino)methyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane?
The InChIKey is ZULMNVTVSDWFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClF3N5O2.C21H21ClF3N5O2.C20H19ClF3N5O2.4CH4/c26-20-12-16(14-32-23(35)18-4-2-1-3-5-18)13-31-22(20)17-8-10-34(11-9-17)24(36)33-21-7-6-19(15-30-21)25(27,28)29;1-12(28-13(2)31)15-9-17(22)19(27-10-15)14-5-7-30(8-6-14)20(32)29-18-4-3-16(11-26-18)21(23,24)25;1-12(30)25-9-13-8-16(21)18(27-10-13)14-4-6-29(7-5-14)19(31)28-17-3-2-15(11-26-17)20(22,23)24;;;;/h6-8,12-13,15,18H,1-5,9-11,14H2,(H,32,35)(H,30,33,36);3-5,9-12H,6-8H2,1-2H3,(H,28,31)(H,26,29,32);2-4,8,10-11H,5-7,9H2,1H3,(H,25,30)(H,26,28,31);4*1H4.
What are the key properties of 4-[5-(1-acetamidoethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(cyclohexanecarbonylamino)methyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane?
4-[5-(1-acetamidoethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(cyclohexanecarbonylamino)methyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane has a molecular weight of 1507.87 g/mol, XLogP of 16.98, 13 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-acetamidoethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(cyclohexanecarbonylamino)methyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane is sourced from PubChem (CID 162223582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).