6-(2-chlorophenyl)-N-[(2S)-1-[(4-cyano-1-ethylpiperidin-4-yl)amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]pyridine-3-carboxamide

C29H28ClF2N5O2 — CID 67070188

IUPAC6-(2-chlorophenyl)-N-[(2S)-1-[(4-cyano-1-ethylpiperidin-4-yl)amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]pyridine-3-carboxamide
SMILESCCN1CCC(C#N)(NC(=O)[C@H](Cc2c(F)cccc2F)NC(=O)c2ccc(-c3ccccc3Cl)nc2)CC1
InChIInChI=1S/C29H28ClF2N5O2/c1-2-37-14-12-29(18-33,13-15-37)36-28(39)26(16-21-23(31)8-5-9-24(21)32)35-27(38)19-10-11-25(34-17-19)20-6-3-4-7-22(20)30/h3-11,17,26H,2,12-16H2,1H3,(H,35,38)(H,36,39)/t26-/m0/s1
InChIKeyMFFQCORGRCVECV-SANMLTNESA-N
MW552.03 g/mol
LogP4.52
Rot. Bonds8

About 6-(2-chlorophenyl)-N-[(2S)-1-[(4-cyano-1-ethylpiperidin-4-yl)amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]pyridine-3-carboxamide

6-(2-chlorophenyl)-N-[(2S)-1-[(4-cyano-1-ethylpiperidin-4-yl)amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]pyridine-3-carboxamide (PubChem CID 67070188) has the molecular formula C29H28ClF2N5O2 and a molecular weight of 552.03 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-[(2S)-1-[(4-cyano-1-ethylpiperidin-4-yl)amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-[(2S)-1-[(4-cyano-1-ethylpiperidin-4-yl)amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]pyridine-3-carboxamide
PubChem CID67070188
Molecular FormulaC29H28ClF2N5O2
Molecular Weight552.03 g/mol
Exact Mass551.19
IUPAC Name6-(2-chlorophenyl)-N-[(2S)-1-[(4-cyano-1-ethylpiperidin-4-yl)amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]pyridine-3-carboxamide
SMILESCCN1CCC(C#N)(NC(=O)[C@H](Cc2c(F)cccc2F)NC(=O)c2ccc(-c3ccccc3Cl)nc2)CC1
InChIInChI=1S/C29H28ClF2N5O2/c1-2-37-14-12-29(18-33,13-15-37)36-28(39)26(16-21-23(31)8-5-9-24(21)32)35-27(38)19-10-11-25(34-17-19)20-6-3-4-7-22(20)30/h3-11,17,26H,2,12-16H2,1H3,(H,35,38)(H,36,39)/t26-/m0/s1
InChIKeyMFFQCORGRCVECV-SANMLTNESA-N
XLogP4.52
TPSA98.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.03
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2-chlorophenyl)-N-[(2S)-1-[(4-cyano-1-ethylpiperidin-4-yl)amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

4-chloro-3-[4-[[(2S)-1-[(4-cyanothian-4-yl)amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]carbamoyl]phenyl]benzoic acid
CID 91592570
2-chloro-4-(2-chlorophenyl)-N-[(2S)-1-[(4-cyanothian-4-yl)amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]benzamide
CID 90780811
2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide
CID 61124140
3-(2-chlorophenyl)-N-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-[(1-cyanocyclopropyl)amino]-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
CID 129164755
4-(2-chlorophenyl)-N-[3-(2,6-difluorophenyl)-1-oxo-1-[[(2S)-1-oxo-1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)hexan-2-yl]amino]propan-2-yl]benzamide
CID 10009547
6-(2-chlorophenyl)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 58639429
3-chloro-N-[(2S)-1-[(1-cyanocyclopropyl)amino]-1-oxo-3-[4-(1H-pyrazol-4-yl)-1,3-benzoxazol-2-yl]propan-2-yl]benzamide
CID 170452486
N-(1-cyanocyclopropyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide
CID 99586512
N-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide
CID 23500829
4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 112759974
6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide
CID 60967531
2-[(2-chlorophenyl)methyl-methylamino]-N-(1-cyanocyclohexyl)propanamide
CID 18078808

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-[(2S)-1-[(4-cyano-1-ethylpiperidin-4-yl)amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-N-[(2S)-1-[(4-cyano-1-ethylpiperidin-4-yl)amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]pyridine-3-carboxamide (CID 67070188) is 6-(2-chlorophenyl)-N-[(2S)-1-[(4-cyano-1-ethylpiperidin-4-yl)amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-N-[(2S)-1-[(4-cyano-1-ethylpiperidin-4-yl)amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-N-[(2S)-1-[(4-cyano-1-ethylpiperidin-4-yl)amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]pyridine-3-carboxamide is CCN1CCC(C#N)(NC(=O)[C@H](Cc2c(F)cccc2F)NC(=O)c2ccc(-c3ccccc3Cl)nc2)CC1.
What is the InChIKey of 6-(2-chlorophenyl)-N-[(2S)-1-[(4-cyano-1-ethylpiperidin-4-yl)amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The InChIKey is MFFQCORGRCVECV-SANMLTNESA-N. The full InChI is InChI=1S/C29H28ClF2N5O2/c1-2-37-14-12-29(18-33,13-15-37)36-28(39)26(16-21-23(31)8-5-9-24(21)32)35-27(38)19-10-11-25(34-17-19)20-6-3-4-7-22(20)30/h3-11,17,26H,2,12-16H2,1H3,(H,35,38)(H,36,39)/t26-/m0/s1.
What are the key properties of 6-(2-chlorophenyl)-N-[(2S)-1-[(4-cyano-1-ethylpiperidin-4-yl)amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]pyridine-3-carboxamide?
6-(2-chlorophenyl)-N-[(2S)-1-[(4-cyano-1-ethylpiperidin-4-yl)amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]pyridine-3-carboxamide has a molecular weight of 552.03 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-[(2S)-1-[(4-cyano-1-ethylpiperidin-4-yl)amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67070188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).