(2R)-2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-1-methyl-2-oxoquinolin-4-yl]amino]-N-cyclopentylpropanamide

C24H25ClN6O2 — CID 135386564

IUPAC(2R)-2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-1-methyl-2-oxoquinolin-4-yl]amino]-N-cyclopentylpropanamide
SMILESC[C@@H](Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)C(=O)NC1CCCC1
InChIInChI=1S/C24H25ClN6O2/c1-14(24(33)30-15-5-3-4-6-15)28-20-12-22(32)31(2)21-8-7-16(11-17(20)21)29-19-9-10-27-23(25)18(19)13-26/h7-12,14-15,28H,3-6H2,1-2H3,(H,27,29)(H,30,33)/t14-/m1/s1
InChIKeyHFXLBWNSMJYTRE-CQSZACIVSA-N
MW464.96 g/mol
LogP4.06
Rot. Bonds6

About (2R)-2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-1-methyl-2-oxoquinolin-4-yl]amino]-N-cyclopentylpropanamide

(2R)-2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-1-methyl-2-oxoquinolin-4-yl]amino]-N-cyclopentylpropanamide (PubChem CID 135386564) has the molecular formula C24H25ClN6O2 and a molecular weight of 464.96 g/mol. Its IUPAC name is (2R)-2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-1-methyl-2-oxoquinolin-4-yl]amino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-1-methyl-2-oxoquinolin-4-yl]amino]-N-cyclopentylpropanamide
PubChem CID135386564
Molecular FormulaC24H25ClN6O2
Molecular Weight464.96 g/mol
Exact Mass464.17
IUPAC Name(2R)-2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-1-methyl-2-oxoquinolin-4-yl]amino]-N-cyclopentylpropanamide
SMILESC[C@@H](Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)C(=O)NC1CCCC1
InChIInChI=1S/C24H25ClN6O2/c1-14(24(33)30-15-5-3-4-6-15)28-20-12-22(32)31(2)21-8-7-16(11-17(20)21)29-19-9-10-27-23(25)18(19)13-26/h7-12,14-15,28H,3-6H2,1-2H3,(H,27,29)(H,30,33)/t14-/m1/s1
InChIKeyHFXLBWNSMJYTRE-CQSZACIVSA-N
XLogP4.06
TPSA111.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R)-2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-1-methyl-2-oxoquinolin-4-yl]amino]-N-cyclopentylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1R)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile
CID 135385752
(2R)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide
CID 142478375
2-chloro-4-[[(2S)-2,7-dimethyl-5,6-dioxo-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
CID 146171902
2-chloro-4-[[(2S)-2,7-dimethyl-6-oxo-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
CID 146171979
(2S)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide
CID 162368332
US11161839, Example 1a
CID 135385641
US11161839, Example 3l
CID 135386472
2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-1-methyl-2-oxoquinolin-4-yl]amino]-N-methylpropanamide
CID 135386797
US11161839, Example 1p
CID 135387020
US11161839, Example 10f
CID 142478222
US20230287003, Example 1c
CID 146172016
2-chloro-4-[[(2S,4S)-2,4,7-trimethyl-6-oxo-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
CID 146172017

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-1-methyl-2-oxoquinolin-4-yl]amino]-N-cyclopentylpropanamide?
The IUPAC name of (2R)-2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-1-methyl-2-oxoquinolin-4-yl]amino]-N-cyclopentylpropanamide (CID 135386564) is (2R)-2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-1-methyl-2-oxoquinolin-4-yl]amino]-N-cyclopentylpropanamide.
What is the SMILES notation for (2R)-2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-1-methyl-2-oxoquinolin-4-yl]amino]-N-cyclopentylpropanamide?
The canonical SMILES for (2R)-2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-1-methyl-2-oxoquinolin-4-yl]amino]-N-cyclopentylpropanamide is C[C@@H](Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)C(=O)NC1CCCC1.
What is the InChIKey of (2R)-2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-1-methyl-2-oxoquinolin-4-yl]amino]-N-cyclopentylpropanamide?
The InChIKey is HFXLBWNSMJYTRE-CQSZACIVSA-N. The full InChI is InChI=1S/C24H25ClN6O2/c1-14(24(33)30-15-5-3-4-6-15)28-20-12-22(32)31(2)21-8-7-16(11-17(20)21)29-19-9-10-27-23(25)18(19)13-26/h7-12,14-15,28H,3-6H2,1-2H3,(H,27,29)(H,30,33)/t14-/m1/s1.
What are the key properties of (2R)-2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-1-methyl-2-oxoquinolin-4-yl]amino]-N-cyclopentylpropanamide?
(2R)-2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-1-methyl-2-oxoquinolin-4-yl]amino]-N-cyclopentylpropanamide has a molecular weight of 464.96 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-1-methyl-2-oxoquinolin-4-yl]amino]-N-cyclopentylpropanamide is sourced from PubChem (CID 135386564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).