3-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

C19H31N7O — CID 50923116

IUPAC3-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(NCCCN2CCN(C)CC2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C19H31N7O/c1-14(2)22-18-17-15(21-13-25(4)19(17)27)12-16(23-18)20-6-5-7-26-10-8-24(3)9-11-26/h12-14H,5-11H2,1-4H3,(H2,20,22,23)
InChIKeyOEIJYWNYZVQJOB-UHFFFAOYSA-N
MW373.51 g/mol
LogP1.20
Rot. Bonds7

About 3-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

3-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 50923116) has the molecular formula C19H31N7O and a molecular weight of 373.51 g/mol. Its IUPAC name is 3-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID50923116
Molecular FormulaC19H31N7O
Molecular Weight373.51 g/mol
Exact Mass373.26
IUPAC Name3-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(NCCCN2CCN(C)CC2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C19H31N7O/c1-14(2)22-18-17-15(21-13-25(4)19(17)27)12-16(23-18)20-6-5-7-26-10-8-24(3)9-11-26/h12-14H,5-11H2,1-4H3,(H2,20,22,23)
InChIKeyOEIJYWNYZVQJOB-UHFFFAOYSA-N
XLogP1.20
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
Dipyridodiazepinone deriv. 21
CID 463148
N,N-dimethyl-2-[3-[4-(2-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10764021
6-(4-Acryloyl-piperazin-1-yl)-2-[4-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-nicotinamide
CID 118038376
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(4,4-difluoro-piperidin-1-yl)-phenylamino]-nicotinamide
CID 118038416
N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040782
2-(Piperazin-1-yl)pyridine-3-carboxamide
CID 16785637
Dipyridodiazepinone deriv. 20
CID 463147
N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10833725
6-[(2-Aminocyclohexyl)amino]-2-(3-methylanilino)pyridine-3-carboxamide
CID 9949798
(S)-N-(2-aminophenyl)-6-(3-methylpiperazin-1-yl)nicotinamide
CID 16662685
N-(2-aminophenyl)-6-((2R,5S)-2,5-dimethylpiperazin-1-yl)nicotinamide
CID 16662686

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 50923116) is 3-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is CC(C)Nc1nc(NCCCN2CCN(C)CC2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 3-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is OEIJYWNYZVQJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7O/c1-14(2)22-18-17-15(21-13-25(4)19(17)27)12-16(23-18)20-6-5-7-26-10-8-24(3)9-11-26/h12-14H,5-11H2,1-4H3,(H2,20,22,23).
What are the key properties of 3-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
3-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 373.51 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 50923116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).