[(1S,2R)-2-[[5-[(4-chloro-6-methyl-2-pyridinyl)amino]-6-cyano-3-pyridinyl]amino]cyclohexyl]carbamic acid

C19H21ClN6O2 — CID 90354468

IUPAC[(1S,2R)-2-[[5-[(4-chloro-6-methyl-2-pyridinyl)amino]-6-cyano-3-pyridinyl]amino]cyclohexyl]carbamic acid
SMILESCc1cc(Cl)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3NC(=O)O)cnc2C#N)n1
InChIInChI=1S/C19H21ClN6O2/c1-11-6-12(20)7-18(23-11)25-16-8-13(10-22-17(16)9-21)24-14-4-2-3-5-15(14)26-19(27)28/h6-8,10,14-15,24,26H,2-5H2,1H3,(H,23,25)(H,27,28)/t14-,15+/m1/s1
InChIKeyKRARHLIZCMNPDV-CABCVRRESA-N
MW400.87 g/mol
LogP4.04
Rot. Bonds5

About [(1S,2R)-2-[[5-[(4-chloro-6-methyl-2-pyridinyl)amino]-6-cyano-3-pyridinyl]amino]cyclohexyl]carbamic acid

[(1S,2R)-2-[[5-[(4-chloro-6-methyl-2-pyridinyl)amino]-6-cyano-3-pyridinyl]amino]cyclohexyl]carbamic acid (PubChem CID 90354468) has the molecular formula C19H21ClN6O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is [(1S,2R)-2-[[5-[(4-chloro-6-methyl-2-pyridinyl)amino]-6-cyano-3-pyridinyl]amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[(1S,2R)-2-[[5-[(4-chloro-6-methyl-2-pyridinyl)amino]-6-cyano-3-pyridinyl]amino]cyclohexyl]carbamic acid
PubChem CID90354468
Molecular FormulaC19H21ClN6O2
Molecular Weight400.87 g/mol
Exact Mass400.14
IUPAC Name[(1S,2R)-2-[[5-[(4-chloro-6-methyl-2-pyridinyl)amino]-6-cyano-3-pyridinyl]amino]cyclohexyl]carbamic acid
SMILESCc1cc(Cl)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3NC(=O)O)cnc2C#N)n1
InChIInChI=1S/C19H21ClN6O2/c1-11-6-12(20)7-18(23-11)25-16-8-13(10-22-17(16)9-21)24-14-4-2-3-5-15(14)26-19(27)28/h6-8,10,14-15,24,26H,2-5H2,1H3,(H,23,25)(H,27,28)/t14-,15+/m1/s1
InChIKeyKRARHLIZCMNPDV-CABCVRRESA-N
XLogP4.04
TPSA122.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 54.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [(1S,2R)-2-[[5-[(4-chloro-6-methyl-2-pyridinyl)amino]-6-cyano-3-pyridinyl]amino]cyclohexyl]carbamic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(1S,2R)-2-[[6-cyano-5-[[6-(triazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]amino]cyclohexyl]carbamate
CID 131734334
[(1S,2R)-2-[4-cyano-3-(4-fluoroanilino)anilino]cyclohexyl]carbamic acid
CID 67775635
[(1S,2R)-2-[4-cyano-3-(3,5-dimethylanilino)anilino]cyclohexyl]carbamic acid
CID 67772820
2-amino-3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-N-methylpropanamide
CID 89486875
[(3R,4R)-4-[(5-bromo-6-cyano-3-pyridinyl)amino]oxan-3-yl]carbamic acid
CID 90098279
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-4-(2-methylpyrazol-3-yl)-2-pyridinyl]amino]pyridine-2-carboxamide
CID 90354456
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(isoquinolin-7-ylamino)pyridine-2-carbonitrile
CID 86716565
3-[(4,6-dimethyl-2-pyridinyl)amino]-5-(piperidin-4-ylamino)pyridine-2-carboxamide
CID 90354419
4-[[(1S,2R)-2-aminocyclohexyl]amino]-2-[(4,6-dimethyl-2-pyridinyl)amino]benzamide
CID 71523126
N-cyclopentyl-6-(3,5-dichloroanilino)-2-methylpyrimidine-4-carboxamide
CID 109363415
[2-[4-cyano-3-[(3-phenyl-1,2-oxazol-5-yl)amino]anilino]cyclohexyl]carbamic acid
CID 67773613
2-[(2-hydroxycycloheptyl)amino]-6-methylpyridine-4-carbonitrile
CID 114769770

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-[[5-[(4-chloro-6-methyl-2-pyridinyl)amino]-6-cyano-3-pyridinyl]amino]cyclohexyl]carbamic acid?
The IUPAC name of [(1S,2R)-2-[[5-[(4-chloro-6-methyl-2-pyridinyl)amino]-6-cyano-3-pyridinyl]amino]cyclohexyl]carbamic acid (CID 90354468) is [(1S,2R)-2-[[5-[(4-chloro-6-methyl-2-pyridinyl)amino]-6-cyano-3-pyridinyl]amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [(1S,2R)-2-[[5-[(4-chloro-6-methyl-2-pyridinyl)amino]-6-cyano-3-pyridinyl]amino]cyclohexyl]carbamic acid?
The canonical SMILES for [(1S,2R)-2-[[5-[(4-chloro-6-methyl-2-pyridinyl)amino]-6-cyano-3-pyridinyl]amino]cyclohexyl]carbamic acid is Cc1cc(Cl)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3NC(=O)O)cnc2C#N)n1.
What is the InChIKey of [(1S,2R)-2-[[5-[(4-chloro-6-methyl-2-pyridinyl)amino]-6-cyano-3-pyridinyl]amino]cyclohexyl]carbamic acid?
The InChIKey is KRARHLIZCMNPDV-CABCVRRESA-N. The full InChI is InChI=1S/C19H21ClN6O2/c1-11-6-12(20)7-18(23-11)25-16-8-13(10-22-17(16)9-21)24-14-4-2-3-5-15(14)26-19(27)28/h6-8,10,14-15,24,26H,2-5H2,1H3,(H,23,25)(H,27,28)/t14-,15+/m1/s1.
What are the key properties of [(1S,2R)-2-[[5-[(4-chloro-6-methyl-2-pyridinyl)amino]-6-cyano-3-pyridinyl]amino]cyclohexyl]carbamic acid?
[(1S,2R)-2-[[5-[(4-chloro-6-methyl-2-pyridinyl)amino]-6-cyano-3-pyridinyl]amino]cyclohexyl]carbamic acid has a molecular weight of 400.87 g/mol, XLogP of 4.04, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-[[5-[(4-chloro-6-methyl-2-pyridinyl)amino]-6-cyano-3-pyridinyl]amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 90354468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).