1-methyl-2-oxo-N-(3-propan-2-ylphenyl)-5-pyridin-4-ylpyridine-3-carboxamide

C21H21N3O2 — CID 58692619

IUPAC1-methyl-2-oxo-N-(3-propan-2-ylphenyl)-5-pyridin-4-ylpyridine-3-carboxamide
SMILESCC(C)c1cccc(NC(=O)c2cc(-c3ccncc3)cn(C)c2=O)c1
InChIInChI=1S/C21H21N3O2/c1-14(2)16-5-4-6-18(11-16)23-20(25)19-12-17(13-24(3)21(19)26)15-7-9-22-10-8-15/h4-14H,1-3H3,(H,23,25)
InChIKeyMAHJPQMKVIICCB-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.82
Rot. Bonds4

About 1-methyl-2-oxo-N-(3-propan-2-ylphenyl)-5-pyridin-4-ylpyridine-3-carboxamide

1-methyl-2-oxo-N-(3-propan-2-ylphenyl)-5-pyridin-4-ylpyridine-3-carboxamide (PubChem CID 58692619) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(3-propan-2-ylphenyl)-5-pyridin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(3-propan-2-ylphenyl)-5-pyridin-4-ylpyridine-3-carboxamide
PubChem CID58692619
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-methyl-2-oxo-N-(3-propan-2-ylphenyl)-5-pyridin-4-ylpyridine-3-carboxamide
SMILESCC(C)c1cccc(NC(=O)c2cc(-c3ccncc3)cn(C)c2=O)c1
InChIInChI=1S/C21H21N3O2/c1-14(2)16-5-4-6-18(11-16)23-20(25)19-12-17(13-24(3)21(19)26)15-7-9-22-10-8-15/h4-14H,1-3H3,(H,23,25)
InChIKeyMAHJPQMKVIICCB-UHFFFAOYSA-N
XLogP3.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(3-propan-2-ylphenyl)-5-pyridin-4-ylpyridine-3-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-(3-propan-2-ylphenyl)-5-pyridin-4-ylpyridine-3-carboxamide (CID 58692619) is 1-methyl-2-oxo-N-(3-propan-2-ylphenyl)-5-pyridin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-(3-propan-2-ylphenyl)-5-pyridin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-(3-propan-2-ylphenyl)-5-pyridin-4-ylpyridine-3-carboxamide is CC(C)c1cccc(NC(=O)c2cc(-c3ccncc3)cn(C)c2=O)c1.
What is the InChIKey of 1-methyl-2-oxo-N-(3-propan-2-ylphenyl)-5-pyridin-4-ylpyridine-3-carboxamide?
The InChIKey is MAHJPQMKVIICCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14(2)16-5-4-6-18(11-16)23-20(25)19-12-17(13-24(3)21(19)26)15-7-9-22-10-8-15/h4-14H,1-3H3,(H,23,25).
What are the key properties of 1-methyl-2-oxo-N-(3-propan-2-ylphenyl)-5-pyridin-4-ylpyridine-3-carboxamide?
1-methyl-2-oxo-N-(3-propan-2-ylphenyl)-5-pyridin-4-ylpyridine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-(3-propan-2-ylphenyl)-5-pyridin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 58692619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).