3-(3-methylimidazol-4-yl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one

C20H20N6O — CID 146299047

IUPAC3-(3-methylimidazol-4-yl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1[nH]c(=O)c(-c2cncn2C)cc1Nc1ccnc2ccncc12
InChIInChI=1S/C20H20N6O/c1-12(2)19-17(8-13(20(27)25-19)18-10-22-11-26(18)3)24-16-5-7-23-15-4-6-21-9-14(15)16/h4-12H,1-3H3,(H,23,24)(H,25,27)
InChIKeyTUNDQSZFFVSIGJ-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.59
Rot. Bonds4

About 3-(3-methylimidazol-4-yl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one

3-(3-methylimidazol-4-yl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 146299047) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-(3-methylimidazol-4-yl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-methylimidazol-4-yl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one
PubChem CID146299047
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name3-(3-methylimidazol-4-yl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1[nH]c(=O)c(-c2cncn2C)cc1Nc1ccnc2ccncc12
InChIInChI=1S/C20H20N6O/c1-12(2)19-17(8-13(20(27)25-19)18-10-22-11-26(18)3)24-16-5-7-23-15-4-6-21-9-14(15)16/h4-12H,1-3H3,(H,23,24)(H,25,27)
InChIKeyTUNDQSZFFVSIGJ-UHFFFAOYSA-N
XLogP3.59
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-1,6-naphthyridine;5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine;N-[5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-yl-3-pyridinyl]-1,6-naphthyridin-4-amine;3-(4-fluoro-3-methylphenyl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one
CID 158634516
N-(2-hydroxypropyl)-4-[(6-oxo-2-propan-2-yl-5-pyridin-2-yl-1H-pyridin-3-yl)amino]pyridine-3-carboxamide
CID 146299113
3-(5-chloro-2-fluorophenyl)-5-[(2-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-6-propan-2-yl-1H-pyridin-2-one
CID 146299218
5-[(3-ethenyl-4-pyridinyl)amino]-3-methyl-6-propan-2-yl-1H-pyridin-2-one;methane
CID 153392321
4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
CID 146299048
4-[[5-(5-chloro-2-fluorocyclohexa-1,5-dien-1-yl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
CID 153392133
3-(5-chloro-2-fluorophenyl)-5-[(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-6-propan-2-yl-1H-pyridin-2-one
CID 146299086
3-methylpyrido[4,3-d]pyrimidin-4-one
CID 59514464
4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-5,7-dihydrocyclopenta[b]pyridin-6-one
CID 162007063
6-(dimethylamino)-3-(1-methylpyrazol-3-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)-1H-pyridin-2-one
CID 146298917
5-[(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)amino]-3-(5-chloro-2-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one
CID 146299094
3-(5-chloro-2-fluorophenyl)-5-[(2-nitro-4-pyridinyl)amino]-6-propan-2-yl-1H-pyridin-2-one
CID 146296471

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylimidazol-4-yl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-(3-methylimidazol-4-yl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one (CID 146299047) is 3-(3-methylimidazol-4-yl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-methylimidazol-4-yl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-(3-methylimidazol-4-yl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one is CC(C)c1[nH]c(=O)c(-c2cncn2C)cc1Nc1ccnc2ccncc12.
What is the InChIKey of 3-(3-methylimidazol-4-yl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is TUNDQSZFFVSIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-12(2)19-17(8-13(20(27)25-19)18-10-22-11-26(18)3)24-16-5-7-23-15-4-6-21-9-14(15)16/h4-12H,1-3H3,(H,23,24)(H,25,27).
What are the key properties of 3-(3-methylimidazol-4-yl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one?
3-(3-methylimidazol-4-yl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 360.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylimidazol-4-yl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 146299047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).