N-[4-chloro-2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]-1,2,3,6-tetrahydropyridine-4-carboxamide

C19H15Cl2F3N4O2 — CID 87940850

IUPACN-[4-chloro-2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]-1,2,3,6-tetrahydropyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1N(C(=O)C(F)(F)F)c1ccc(Cl)cn1)C1=CCNCC1
InChIInChI=1S/C19H15Cl2F3N4O2/c20-12-1-3-14(27-17(29)11-5-7-25-8-6-11)15(9-12)28(18(30)19(22,23)24)16-4-2-13(21)10-26-16/h1-5,9-10,25H,6-8H2,(H,27,29)
InChIKeyQOKAKSHJNROOJW-UHFFFAOYSA-N
MW459.26 g/mol
LogP4.47
Rot. Bonds4

About N-[4-chloro-2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]-1,2,3,6-tetrahydropyridine-4-carboxamide

N-[4-chloro-2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]-1,2,3,6-tetrahydropyridine-4-carboxamide (PubChem CID 87940850) has the molecular formula C19H15Cl2F3N4O2 and a molecular weight of 459.26 g/mol. Its IUPAC name is N-[4-chloro-2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]-1,2,3,6-tetrahydropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]-1,2,3,6-tetrahydropyridine-4-carboxamide
PubChem CID87940850
Molecular FormulaC19H15Cl2F3N4O2
Molecular Weight459.26 g/mol
Exact Mass458.05
IUPAC NameN-[4-chloro-2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]-1,2,3,6-tetrahydropyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1N(C(=O)C(F)(F)F)c1ccc(Cl)cn1)C1=CCNCC1
InChIInChI=1S/C19H15Cl2F3N4O2/c20-12-1-3-14(27-17(29)11-5-7-25-8-6-11)15(9-12)28(18(30)19(22,23)24)16-4-2-13(21)10-26-16/h1-5,9-10,25H,6-8H2,(H,27,29)
InChIKeyQOKAKSHJNROOJW-UHFFFAOYSA-N
XLogP4.47
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.26
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 87940995
N-[2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]-4-ethylphenyl]piperidine-4-carboxamide
CID 87940983
N-[2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]-4-(dimethylsulfamoyl)phenyl]piperazine-1-carboxamide
CID 87941076
piperidin-4-yl N-[2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]carbamate
CID 87941257
[(5-chloro-2-pyridinyl)-[5-methyl-2-(piperazine-1-carbonylamino)benzoyl]amino] 2,2,2-trifluoroacetate
CID 139928644
N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2,2-trifluoroacetamide
CID 163133531
5-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-2-carboxamide
CID 107487182
[(5-chloro-2-pyridinyl)-[2-(piperidine-4-carbonylamino)benzoyl]amino] 2,2,2-trifluoroacetate
CID 139928631
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(diethylamino)pyridine-3-carboxamide
CID 109160729
N-(5-chloro-2-pyridinyl)-2-methyl-N-piperidin-4-ylpropanamide;2,2,2-trifluoroacetic acid
CID 174614330
N-(2-amino-4-chlorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908264
1-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2,4-difluorophenyl]-3-(2,2,2-trifluoroethyl)urea
CID 58087144

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]-1,2,3,6-tetrahydropyridine-4-carboxamide?
The IUPAC name of N-[4-chloro-2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]-1,2,3,6-tetrahydropyridine-4-carboxamide (CID 87940850) is N-[4-chloro-2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]-1,2,3,6-tetrahydropyridine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]-1,2,3,6-tetrahydropyridine-4-carboxamide?
The canonical SMILES for N-[4-chloro-2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]-1,2,3,6-tetrahydropyridine-4-carboxamide is O=C(Nc1ccc(Cl)cc1N(C(=O)C(F)(F)F)c1ccc(Cl)cn1)C1=CCNCC1.
What is the InChIKey of N-[4-chloro-2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]-1,2,3,6-tetrahydropyridine-4-carboxamide?
The InChIKey is QOKAKSHJNROOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2F3N4O2/c20-12-1-3-14(27-17(29)11-5-7-25-8-6-11)15(9-12)28(18(30)19(22,23)24)16-4-2-13(21)10-26-16/h1-5,9-10,25H,6-8H2,(H,27,29).
What are the key properties of N-[4-chloro-2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]-1,2,3,6-tetrahydropyridine-4-carboxamide?
N-[4-chloro-2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]-1,2,3,6-tetrahydropyridine-4-carboxamide has a molecular weight of 459.26 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]-1,2,3,6-tetrahydropyridine-4-carboxamide is sourced from PubChem (CID 87940850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).