N-[3-(2-methylpropyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide

C19H22N2O2 — CID 110612663

IUPACN-[3-(2-methylpropyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide
SMILESCC(C)Cc1cccc(NC(=O)CCC(=O)c2cccnc2)c1
InChIInChI=1S/C19H22N2O2/c1-14(2)11-15-5-3-7-17(12-15)21-19(23)9-8-18(22)16-6-4-10-20-13-16/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,21,23)
InChIKeyUNTFWQJCLMCQJR-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.88
Rot. Bonds7

About N-[3-(2-methylpropyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide

N-[3-(2-methylpropyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide (PubChem CID 110612663) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[3-(2-methylpropyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[3-(2-methylpropyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide
PubChem CID110612663
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[3-(2-methylpropyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide
SMILESCC(C)Cc1cccc(NC(=O)CCC(=O)c2cccnc2)c1
InChIInChI=1S/C19H22N2O2/c1-14(2)11-15-5-3-7-17(12-15)21-19(23)9-8-18(22)16-6-4-10-20-13-16/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,21,23)
InChIKeyUNTFWQJCLMCQJR-UHFFFAOYSA-N
XLogP3.88
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]amino]benzamide
CID 39295648
N-(3-acetylphenyl)-3-pyridin-3-ylpropanamide
CID 9209643
4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide
CID 110425632
4-oxo-4-pyridin-3-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 110622852
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
N-(6-methoxy-3-pyridinyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110620858
N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 32638262
N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925215
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110425405
[3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone
CID 116543089
N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide
CID 17418766
N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926397

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide?
The IUPAC name of N-[3-(2-methylpropyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide (CID 110612663) is N-[3-(2-methylpropyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[3-(2-methylpropyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-[3-(2-methylpropyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide is CC(C)Cc1cccc(NC(=O)CCC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-(2-methylpropyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide?
The InChIKey is UNTFWQJCLMCQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14(2)11-15-5-3-7-17(12-15)21-19(23)9-8-18(22)16-6-4-10-20-13-16/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(2-methylpropyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide?
N-[3-(2-methylpropyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide has a molecular weight of 310.40 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110612663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).