N-[1-[5-[(2E,4E)-5-chlorohepta-2,4,6-trien-2-yl]-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperidin-4-yl]propanamide;N-[1-[6-(2-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide

C50H56ClF3N10O2 — CID 143313305

IUPACN-[1-[5-[(2E,4E)-5-chlorohepta-2,4,6-trien-2-yl]-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperidin-4-yl]propanamide;N-[1-[6-(2-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide
SMILESC=C/C(Cl)=C\C=C(/C)c1ncc(N2CCC(NC(=O)CC)CC2)nc1-c1ccncc1C.CCC(=O)NC1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3cccnc3C)n2)CC1
InChIInChI=1S/C25H30ClN5O.C25H26F3N5O/c1-5-19(26)8-7-17(3)24-25(21-9-12-27-15-18(21)4)30-22(16-28-24)31-13-10-20(11-14-31)29-23(32)6-2;1-3-22(34)31-19-10-13-33(14-11-19)21-15-30-23(17-6-8-18(9-7-17)25(26,27)28)24(32-21)20-5-4-12-29-16(20)2/h5,7-9,12,15-16,20H,1,6,10-11,13-14H2,2-4H3,(H,29,32);4-9,12,15,19H,3,10-11,13-14H2,1-2H3,(H,31,34)/b17-7+,19-8+;
InChIKeyJTNZQLPXTDPWAF-LNBGIIMQSA-N
MW921.51 g/mol
LogP10.08
Rot. Bonds12

About N-[1-[5-[(2E,4E)-5-chlorohepta-2,4,6-trien-2-yl]-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperidin-4-yl]propanamide;N-[1-[6-(2-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide

N-[1-[5-[(2E,4E)-5-chlorohepta-2,4,6-trien-2-yl]-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperidin-4-yl]propanamide;N-[1-[6-(2-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide (PubChem CID 143313305) has the molecular formula C50H56ClF3N10O2 and a molecular weight of 921.51 g/mol. Its IUPAC name is N-[1-[5-[(2E,4E)-5-chlorohepta-2,4,6-trien-2-yl]-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperidin-4-yl]propanamide;N-[1-[6-(2-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[5-[(2E,4E)-5-chlorohepta-2,4,6-trien-2-yl]-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperidin-4-yl]propanamide;N-[1-[6-(2-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide
PubChem CID143313305
Molecular FormulaC50H56ClF3N10O2
Molecular Weight921.51 g/mol
Exact Mass920.42
IUPAC NameN-[1-[5-[(2E,4E)-5-chlorohepta-2,4,6-trien-2-yl]-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperidin-4-yl]propanamide;N-[1-[6-(2-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide
SMILESC=C/C(Cl)=C\C=C(/C)c1ncc(N2CCC(NC(=O)CC)CC2)nc1-c1ccncc1C.CCC(=O)NC1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3cccnc3C)n2)CC1
InChIInChI=1S/C25H30ClN5O.C25H26F3N5O/c1-5-19(26)8-7-17(3)24-25(21-9-12-27-15-18(21)4)30-22(16-28-24)31-13-10-20(11-14-31)29-23(32)6-2;1-3-22(34)31-19-10-13-33(14-11-19)21-15-30-23(17-6-8-18(9-7-17)25(26,27)28)24(32-21)20-5-4-12-29-16(20)2/h5,7-9,12,15-16,20H,1,6,10-11,13-14H2,2-4H3,(H,29,32);4-9,12,15,19H,3,10-11,13-14H2,1-2H3,(H,31,34)/b17-7+,19-8+;
InChIKeyJTNZQLPXTDPWAF-LNBGIIMQSA-N
XLogP10.08
TPSA142.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.51
LogP ≤ 510.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[1-[5-[(2E,4E)-5-chlorohepta-2,4,6-trien-2-yl]-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperidin-4-yl]propanamide;N-[1-[6-(2-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide with MolForge

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Related Compounds

N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)isobutyramide
CID 24857903
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]piperidine-4-carboxylic Acid(2-Pyrrolidin-1-ylethyl)amide
CID 46900235
N-(2-(pyrrolidin-1-yl)ethyl)-1-(3-(2-(tetrahydro-2H-pyran-4-ylamino)pyridin-4-yl)-2,6-naphthyridin-1-yl)piperidine-4-carboxamide
CID 46901056
2'-Fluoro-3-methyl-N-[5-(2-pyrazinyl)-2-pyridinyl][2,4'-bipyridine]-5-acetamide
CID 46927364
3-amino-N-[3-(4-aminopiperidin-1-yl)pyridin-2-yl]-6-[6-(dimethylamino)-3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873182
1-(6-(2-Chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
CID 44576686
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)propionamide
CID 44576717
3-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide
CID 122192867
4-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]piperazin-2-one
CID 46900069
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]piperidine-4-carboxylic Acid Methylamide
CID 46900234
1-acetyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide
CID 66836906
N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide
CID 67127837

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(2E,4E)-5-chlorohepta-2,4,6-trien-2-yl]-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperidin-4-yl]propanamide;N-[1-[6-(2-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide?
The IUPAC name of N-[1-[5-[(2E,4E)-5-chlorohepta-2,4,6-trien-2-yl]-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperidin-4-yl]propanamide;N-[1-[6-(2-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide (CID 143313305) is N-[1-[5-[(2E,4E)-5-chlorohepta-2,4,6-trien-2-yl]-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperidin-4-yl]propanamide;N-[1-[6-(2-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-[5-[(2E,4E)-5-chlorohepta-2,4,6-trien-2-yl]-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperidin-4-yl]propanamide;N-[1-[6-(2-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-[5-[(2E,4E)-5-chlorohepta-2,4,6-trien-2-yl]-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperidin-4-yl]propanamide;N-[1-[6-(2-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide is C=C/C(Cl)=C\C=C(/C)c1ncc(N2CCC(NC(=O)CC)CC2)nc1-c1ccncc1C.CCC(=O)NC1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3cccnc3C)n2)CC1.
What is the InChIKey of N-[1-[5-[(2E,4E)-5-chlorohepta-2,4,6-trien-2-yl]-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperidin-4-yl]propanamide;N-[1-[6-(2-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide?
The InChIKey is JTNZQLPXTDPWAF-LNBGIIMQSA-N. The full InChI is InChI=1S/C25H30ClN5O.C25H26F3N5O/c1-5-19(26)8-7-17(3)24-25(21-9-12-27-15-18(21)4)30-22(16-28-24)31-13-10-20(11-14-31)29-23(32)6-2;1-3-22(34)31-19-10-13-33(14-11-19)21-15-30-23(17-6-8-18(9-7-17)25(26,27)28)24(32-21)20-5-4-12-29-16(20)2/h5,7-9,12,15-16,20H,1,6,10-11,13-14H2,2-4H3,(H,29,32);4-9,12,15,19H,3,10-11,13-14H2,1-2H3,(H,31,34)/b17-7+,19-8+;.
What are the key properties of N-[1-[5-[(2E,4E)-5-chlorohepta-2,4,6-trien-2-yl]-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperidin-4-yl]propanamide;N-[1-[6-(2-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide?
N-[1-[5-[(2E,4E)-5-chlorohepta-2,4,6-trien-2-yl]-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperidin-4-yl]propanamide;N-[1-[6-(2-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide has a molecular weight of 921.51 g/mol, XLogP of 10.08, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(2E,4E)-5-chlorohepta-2,4,6-trien-2-yl]-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperidin-4-yl]propanamide;N-[1-[6-(2-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 143313305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).