N-[3-(4-methyl-3-oxopentyl)phenyl]-5-pyridin-2-ylpyridine-3-carboxamide

C23H23N3O2 — CID 166206709

IUPACN-[3-(4-methyl-3-oxopentyl)phenyl]-5-pyridin-2-ylpyridine-3-carboxamide
SMILESCC(C)C(=O)CCc1cccc(NC(=O)c2cncc(-c3ccccn3)c2)c1
InChIInChI=1S/C23H23N3O2/c1-16(2)22(27)10-9-17-6-5-7-20(12-17)26-23(28)19-13-18(14-24-15-19)21-8-3-4-11-25-21/h3-8,11-16H,9-10H2,1-2H3,(H,26,28)
InChIKeyRCSQYYSKKWQQNB-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.55
Rot. Bonds7

About N-[3-(4-methyl-3-oxopentyl)phenyl]-5-pyridin-2-ylpyridine-3-carboxamide

N-[3-(4-methyl-3-oxopentyl)phenyl]-5-pyridin-2-ylpyridine-3-carboxamide (PubChem CID 166206709) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[3-(4-methyl-3-oxopentyl)phenyl]-5-pyridin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methyl-3-oxopentyl)phenyl]-5-pyridin-2-ylpyridine-3-carboxamide
PubChem CID166206709
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[3-(4-methyl-3-oxopentyl)phenyl]-5-pyridin-2-ylpyridine-3-carboxamide
SMILESCC(C)C(=O)CCc1cccc(NC(=O)c2cncc(-c3ccccn3)c2)c1
InChIInChI=1S/C23H23N3O2/c1-16(2)22(27)10-9-17-6-5-7-20(12-17)26-23(28)19-13-18(14-24-15-19)21-8-3-4-11-25-21/h3-8,11-16H,9-10H2,1-2H3,(H,26,28)
InChIKeyRCSQYYSKKWQQNB-UHFFFAOYSA-N
XLogP4.55
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxypropan-2-yl)-N-(3-pyridin-2-ylphenyl)benzamide
CID 142392143
N-(3-ethoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 174738828
N,5-diphenylpyridine-3-carboxamide
CID 110683714
4-methyl-1-[3-(2-methylpropanoyl)phenyl]pentan-3-one
CID 155282723
N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-pyridin-2-ylpyridine-3-carboxamide
CID 167856964
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide
CID 109105062
N-[3-(2-hydroxyethyl)phenyl]benzamide
CID 139896443
N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 32638262
N-[3-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 56563652
N-[3-[2-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)ethyl]phenyl]acetamide
CID 148823551
N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide
CID 17222895

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-3-oxopentyl)phenyl]-5-pyridin-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[3-(4-methyl-3-oxopentyl)phenyl]-5-pyridin-2-ylpyridine-3-carboxamide (CID 166206709) is N-[3-(4-methyl-3-oxopentyl)phenyl]-5-pyridin-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-methyl-3-oxopentyl)phenyl]-5-pyridin-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-methyl-3-oxopentyl)phenyl]-5-pyridin-2-ylpyridine-3-carboxamide is CC(C)C(=O)CCc1cccc(NC(=O)c2cncc(-c3ccccn3)c2)c1.
What is the InChIKey of N-[3-(4-methyl-3-oxopentyl)phenyl]-5-pyridin-2-ylpyridine-3-carboxamide?
The InChIKey is RCSQYYSKKWQQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16(2)22(27)10-9-17-6-5-7-20(12-17)26-23(28)19-13-18(14-24-15-19)21-8-3-4-11-25-21/h3-8,11-16H,9-10H2,1-2H3,(H,26,28).
What are the key properties of N-[3-(4-methyl-3-oxopentyl)phenyl]-5-pyridin-2-ylpyridine-3-carboxamide?
N-[3-(4-methyl-3-oxopentyl)phenyl]-5-pyridin-2-ylpyridine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-3-oxopentyl)phenyl]-5-pyridin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 166206709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).