3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide

C16H22N4O2 — CID 119260426

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC1CCCN1
InChIInChI=1S/C16H22N4O2/c1-10-13(11(2)20-16(22)14(10)8-17)5-6-15(21)19-9-12-4-3-7-18-12/h12,18H,3-7,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUVQWMRLZJJPRLE-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.66
Rot. Bonds5

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide (PubChem CID 119260426) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
PubChem CID119260426
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC1CCCN1
InChIInChI=1S/C16H22N4O2/c1-10-13(11(2)20-16(22)14(10)8-17)5-6-15(21)19-9-12-4-3-7-18-12/h12,18H,3-7,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUVQWMRLZJJPRLE-UHFFFAOYSA-N
XLogP0.66
TPSA97.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120578609
[(1S)-2-oxocyclohexyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784056
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003492
4,6-dimethyl-5-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 41143827
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 119261032
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-phenylsulfanylpropyl)propanamide
CID 46563213
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513702
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 11933241
4,6-dimethyl-2-oxo-5-[3-oxo-3-(2,2,4-trimethylazetidin-1-yl)propyl]-1H-pyridine-3-carbonitrile
CID 47076345
4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514853
[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784133

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide (CID 119260426) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC1CCCN1.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide?
The InChIKey is UVQWMRLZJJPRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10-13(11(2)20-16(22)14(10)8-17)5-6-15(21)19-9-12-4-3-7-18-12/h12,18H,3-7,9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide has a molecular weight of 302.38 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)propanamide is sourced from PubChem (CID 119260426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).