2-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-N-(4-fluorophenyl)-N-methylacetamide

C19H19FN4O — CID 154666930

IUPAC2-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-N-(4-fluorophenyl)-N-methylacetamide
SMILESCc1c(C#N)c(NCC(=O)N(C)c2ccc(F)cc2)nc2c1CCC2
InChIInChI=1S/C19H19FN4O/c1-12-15-4-3-5-17(15)23-19(16(12)10-21)22-11-18(25)24(2)14-8-6-13(20)7-9-14/h6-9H,3-5,11H2,1-2H3,(H,22,23)
InChIKeyCOAMPLXLWYCMQH-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.96
Rot. Bonds4

About 2-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-N-(4-fluorophenyl)-N-methylacetamide

2-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-N-(4-fluorophenyl)-N-methylacetamide (PubChem CID 154666930) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-N-(4-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-N-(4-fluorophenyl)-N-methylacetamide
PubChem CID154666930
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name2-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-N-(4-fluorophenyl)-N-methylacetamide
SMILESCc1c(C#N)c(NCC(=O)N(C)c2ccc(F)cc2)nc2c1CCC2
InChIInChI=1S/C19H19FN4O/c1-12-15-4-3-5-17(15)23-19(16(12)10-21)22-11-18(25)24(2)14-8-6-13(20)7-9-14/h6-9H,3-5,11H2,1-2H3,(H,22,23)
InChIKeyCOAMPLXLWYCMQH-UHFFFAOYSA-N
XLogP2.96
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

L-375378
CID 154118
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CID 6426822
N-((6-amino-2-methylpyridin-3-yl)methyl)-2-(3-(2,2-difluoro-2-phenylethylamino)-6-methyl-2-oxopyrazin-1(2H)-yl)acetamide
CID 11762017
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenyl-propylamino)-2H-pyrazin-1-yl]-acetamide
CID 10884304
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-3-(2-methyl-2-phenyl-propylamino)-2-oxo-2H-pyrazin-1-yl]-acetamide
CID 10938987
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[3-(1,1-dimethyl-2-phenyl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-acetamide
CID 11797101
N-[(3S,4S)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-2-[2-(3-fluorophenyl)ethylamino]acetamide
CID 44592351
2-(4-(cyclohexylmethyl)-6-(4-fluorophenyl)-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-2-ylamino)-N,N-dimethylacetamide
CID 45269481
2-[1-(2,2-Dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]benzonitrile
CID 89735130
(2S)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-(3-methylphenyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 156068834
N-[4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-2-[2-(3-fluorophenyl)ethylamino]acetamide
CID 44592994
(2S)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 168269123

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-N-(4-fluorophenyl)-N-methylacetamide?
The IUPAC name of 2-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-N-(4-fluorophenyl)-N-methylacetamide (CID 154666930) is 2-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-N-(4-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-N-(4-fluorophenyl)-N-methylacetamide?
The canonical SMILES for 2-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-N-(4-fluorophenyl)-N-methylacetamide is Cc1c(C#N)c(NCC(=O)N(C)c2ccc(F)cc2)nc2c1CCC2.
What is the InChIKey of 2-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-N-(4-fluorophenyl)-N-methylacetamide?
The InChIKey is COAMPLXLWYCMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-12-15-4-3-5-17(15)23-19(16(12)10-21)22-11-18(25)24(2)14-8-6-13(20)7-9-14/h6-9H,3-5,11H2,1-2H3,(H,22,23).
What are the key properties of 2-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-N-(4-fluorophenyl)-N-methylacetamide?
2-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-N-(4-fluorophenyl)-N-methylacetamide has a molecular weight of 338.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-N-(4-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 154666930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).