6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide

C20H22ClFN6O2 — CID 75204288

IUPAC6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(C#N)cc2Cl)cc1NC1CC1
InChIInChI=1S/C20H22ClFN6O2/c1-20(2,30)16(22)10-26-19(29)13-9-24-17(6-15(13)27-12-3-4-12)28-18-14(21)5-11(7-23)8-25-18/h5-6,8-9,12,16,30H,3-4,10H2,1-2H3,(H,26,29)(H2,24,25,27,28)/t16-/m1/s1
InChIKeyDWRVMQXDTOSBGF-MRXNPFEDSA-N
MW432.89 g/mol
LogP3.16
Rot. Bonds8

About 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide

6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide (PubChem CID 75204288) has the molecular formula C20H22ClFN6O2 and a molecular weight of 432.89 g/mol. Its IUPAC name is 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
PubChem CID75204288
Molecular FormulaC20H22ClFN6O2
Molecular Weight432.89 g/mol
Exact Mass432.15
IUPAC Name6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(C#N)cc2Cl)cc1NC1CC1
InChIInChI=1S/C20H22ClFN6O2/c1-20(2,30)16(22)10-26-19(29)13-9-24-17(6-15(13)27-12-3-4-12)28-18-14(21)5-11(7-23)8-25-18/h5-6,8-9,12,16,30H,3-4,10H2,1-2H3,(H,26,29)(H2,24,25,27,28)/t16-/m1/s1
InChIKeyDWRVMQXDTOSBGF-MRXNPFEDSA-N
XLogP3.16
TPSA122.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-((5-Cyano-2-pyrimidinyl)amino)-N-((2R)-2-fluoro-3-hydroxy-3-methylbutyl)-4-(isopropylamino)nicotinamide
CID 90134560
US10023562, Example 53
CID 90154871
6-[(5-cyano-3-methyl-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 90154381
(R)-6-((3-chloro-5-cyanopyridin-2-yl)amino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(isopropylamino)nicotinamide
CID 90154630
6-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 90154917
5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44527546
5-chloro-N-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 58317422
5-chloro-N-[4-[[(5-fluoro-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 59186819
US10023562, Example 29
CID 73774625
US10023562, Example 36
CID 75202516
US10023562, Example 40
CID 75202517
US10023562, Example 50
CID 75202518

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide (CID 75204288) is 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(C#N)cc2Cl)cc1NC1CC1.
What is the InChIKey of 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?
The InChIKey is DWRVMQXDTOSBGF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22ClFN6O2/c1-20(2,30)16(22)10-26-19(29)13-9-24-17(6-15(13)27-12-3-4-12)28-18-14(21)5-11(7-23)8-25-18/h5-6,8-9,12,16,30H,3-4,10H2,1-2H3,(H,26,29)(H2,24,25,27,28)/t16-/m1/s1.
What are the key properties of 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?
6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide has a molecular weight of 432.89 g/mol, XLogP of 3.16, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide is sourced from PubChem (CID 75204288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).