6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide

C24H20ClF2N5O2 — CID 166131002

IUPAC6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide
SMILESCC(=O)N(CC(F)F)C1=C(C=C(C=C1)C2=NC=C(C=C2)C(=O)NCCC3=CN=C(C=C3)C#N)Cl
InChIInChI=1S/C24H20ClF2N5O2/c1-15(33)32(14-23(26)27)22-7-4-17(10-20(22)25)21-6-3-18(13-31-21)24(34)29-9-8-16-2-5-19(11-28)30-12-16/h2-7,10,12-13,23H,8-9,14H2,1H3,(H,29,34)
InChIKeyBMSNQESZODJPSR-UHFFFAOYSA-N
MW483.90 g/mol
LogP3.60
Rot. Bonds8

About 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide

6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide (PubChem CID 166131002) has the molecular formula C24H20ClF2N5O2 and a molecular weight of 483.90 g/mol. Its IUPAC name is 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide
PubChem CID166131002
Molecular FormulaC24H20ClF2N5O2
Molecular Weight483.90 g/mol
Exact Mass483.13
IUPAC Name6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide
SMILESCC(=O)N(CC(F)F)C1=C(C=C(C=C1)C2=NC=C(C=C2)C(=O)NCCC3=CN=C(C=C3)C#N)Cl
InChIInChI=1S/C24H20ClF2N5O2/c1-15(33)32(14-23(26)27)22-7-4-17(10-20(22)25)21-6-3-18(13-31-21)24(34)29-9-8-16-2-5-19(11-28)30-12-16/h2-7,10,12-13,23H,8-9,14H2,1H3,(H,29,34)
InChIKeyBMSNQESZODJPSR-UHFFFAOYSA-N
XLogP3.60
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity748

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.90
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide with MolForge

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Related Compounds

3,5-dichloro-N-[3-[4-[N-[(3-cyanophenyl)methyl]-4-(trifluoromethyl)anilino]piperidin-1-yl]butyl]pyridine-4-carboxamide
CID 57402799
Synthesis of (S)-4-(2-(5-chloro-2-fluorophenyl)-5-ethylpyridin-4-ylamino)-N-(2-hydroxy propyl)nicotinamide
CID 91820701
N-[(4-chlorophenyl)methyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide
CID 16026971
N-(4-chloro-3-(pyridin-2-yl)phenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 44626323
N-(4-chloro-3-(pyridin-2-yl)phenyl)-2,6-dimethylnicotinamide
CID 45485759
Synthesis of N-(2-acetamidoethyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino]pyridine-3-carboxamide
CID 118211175
Synthesis of N-(2-amino-2-oxo-ethyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino]pyridine-3-carboxamide
CID 118211314
N-(4-Chlorophenyl)-5,5-difluoro-1-[3-(2-pyridinyl)benzoyl]-3-piperidinecarboxamide
CID 121329877
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(3-pyridin-2-ylpropylamino)methyl]piperidin-1-yl]methanone
CID 132256713
6-(3-methylpyridin-2-yl)-N-(4-(trifluoromethyl)phenyl)nicotinamide
CID 44416417
N-{4-[(2-chloroanilino)carbonyl]phenyl}nicotinamide
CID 7311962
Synthesis of N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino] pyridine-3-carboxamide
CID 118211015

Frequently Asked Questions

What is the IUPAC name of 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide (CID 166131002) is 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide is CC(=O)N(CC(F)F)C1=C(C=C(C=C1)C2=NC=C(C=C2)C(=O)NCCC3=CN=C(C=C3)C#N)Cl.
What is the InChIKey of 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide?
The InChIKey is BMSNQESZODJPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N5O2/c1-15(33)32(14-23(26)27)22-7-4-17(10-20(22)25)21-6-3-18(13-31-21)24(34)29-9-8-16-2-5-19(11-28)30-12-16/h2-7,10,12-13,23H,8-9,14H2,1H3,(H,29,34).
What are the key properties of 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide?
6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide has a molecular weight of 483.90 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 166131002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).