6-chloro-4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide

C17H16ClFN6O — CID 58440219

IUPAC6-chloro-4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide
SMILESN#Cc1ccc(N2CC[C@@H](Nc3cc(Cl)ncc3C(N)=O)[C@@H](F)C2)nc1
InChIInChI=1S/C17H16ClFN6O/c18-15-5-14(11(8-22-15)17(21)26)24-13-3-4-25(9-12(13)19)16-2-1-10(6-20)7-23-16/h1-2,5,7-8,12-13H,3-4,9H2,(H2,21,26)(H,22,24)/t12-,13+/m0/s1
InChIKeyGGBUHZKYHWCMHT-QWHCGFSZSA-N
MW374.81 g/mol
LogP2.13
Rot. Bonds4

About 6-chloro-4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide

6-chloro-4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide (PubChem CID 58440219) has the molecular formula C17H16ClFN6O and a molecular weight of 374.81 g/mol. Its IUPAC name is 6-chloro-4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide
PubChem CID58440219
Molecular FormulaC17H16ClFN6O
Molecular Weight374.81 g/mol
Exact Mass374.11
IUPAC Name6-chloro-4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide
SMILESN#Cc1ccc(N2CC[C@@H](Nc3cc(Cl)ncc3C(N)=O)[C@@H](F)C2)nc1
InChIInChI=1S/C17H16ClFN6O/c18-15-5-14(11(8-22-15)17(21)26)24-13-3-4-25(9-12(13)19)16-2-1-10(6-20)7-23-16/h1-2,5,7-8,12-13H,3-4,9H2,(H2,21,26)(H,22,24)/t12-,13+/m0/s1
InChIKeyGGBUHZKYHWCMHT-QWHCGFSZSA-N
XLogP2.13
TPSA107.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.81
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide with MolForge

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Related Compounds

4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 58440245
4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-[(4-phenylsulfanylphenyl)methyl]pyridine-3-carboxamide
CID 58439915
4-[[(3R,4S)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59291951
4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-[[5-(2-oxoazepan-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide
CID 58439937
4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-6-[[4-[2-(4-methoxypiperidin-1-yl)ethyl]phenyl]methyl]pyridine-3-carboxamide
CID 58440050
4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-[(5-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 58440304
6-anilino-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide
CID 155537151
4-[[(3S,4R)-1-[5-cyano-4-(methylamino)-2-pyridinyl]-3-fluoropiperidin-4-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 58439968
4-[[(3R,4S)-1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59292038
4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[[4-[(dimethylamino)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 58440352
4-[[1-(5-cyanopyrazin-2-yl)piperidin-4-yl]amino]-6-[(5-cyano-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 58440183
4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 15953526

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide (CID 58440219) is 6-chloro-4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide is N#Cc1ccc(N2CC[C@@H](Nc3cc(Cl)ncc3C(N)=O)[C@@H](F)C2)nc1.
What is the InChIKey of 6-chloro-4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide?
The InChIKey is GGBUHZKYHWCMHT-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H16ClFN6O/c18-15-5-14(11(8-22-15)17(21)26)24-13-3-4-25(9-12(13)19)16-2-1-10(6-20)7-23-16/h1-2,5,7-8,12-13H,3-4,9H2,(H2,21,26)(H,22,24)/t12-,13+/m0/s1.
What are the key properties of 6-chloro-4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide?
6-chloro-4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 374.81 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 58440219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).