4-[methyl(2-pyridin-2-ylethyl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

C21H21N5O — CID 171388865

IUPAC4-[methyl(2-pyridin-2-ylethyl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCN(CCc1ccccn1)c1nc(-c2ccccc2)nc2c1CCNC2=O
InChIInChI=1S/C21H21N5O/c1-26(14-11-16-9-5-6-12-22-16)20-17-10-13-23-21(27)18(17)24-19(25-20)15-7-3-2-4-8-15/h2-9,12H,10-11,13-14H2,1H3,(H,23,27)
InChIKeyKWPNSKOYANKART-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.50
Rot. Bonds5

About 4-[methyl(2-pyridin-2-ylethyl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

4-[methyl(2-pyridin-2-ylethyl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171388865) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[methyl(2-pyridin-2-ylethyl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name4-[methyl(2-pyridin-2-ylethyl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171388865
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name4-[methyl(2-pyridin-2-ylethyl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCN(CCc1ccccn1)c1nc(-c2ccccc2)nc2c1CCNC2=O
InChIInChI=1S/C21H21N5O/c1-26(14-11-16-9-5-6-12-22-16)20-17-10-13-23-21(27)18(17)24-19(25-20)15-7-3-2-4-8-15/h2-9,12H,10-11,13-14H2,1H3,(H,23,27)
InChIKeyKWPNSKOYANKART-UHFFFAOYSA-N
XLogP2.50
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[methyl(2-pyridin-2-ylethyl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one with MolForge

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Related Compounds

2-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171906541
4-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386121
N-methyl-2-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56753256
2-phenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386787
3-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 102822634
N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazol-3-amine
CID 133481473
5-methoxy-4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one
CID 137009050
N-methyl-2-pyridin-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine
CID 104557278
4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one
CID 137015587
4-[(2-methoxyphenyl)methyl-methylamino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171910836
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
5,6-dimethyl-3-[methyl(2-pyridin-2-ylethyl)amino]pyridazine-4-carboxylic acid
CID 62702160

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-pyridin-2-ylethyl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 4-[methyl(2-pyridin-2-ylethyl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171388865) is 4-[methyl(2-pyridin-2-ylethyl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 4-[methyl(2-pyridin-2-ylethyl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 4-[methyl(2-pyridin-2-ylethyl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is CN(CCc1ccccn1)c1nc(-c2ccccc2)nc2c1CCNC2=O.
What is the InChIKey of 4-[methyl(2-pyridin-2-ylethyl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is KWPNSKOYANKART-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-26(14-11-16-9-5-6-12-22-16)20-17-10-13-23-21(27)18(17)24-19(25-20)15-7-3-2-4-8-15/h2-9,12H,10-11,13-14H2,1H3,(H,23,27).
What are the key properties of 4-[methyl(2-pyridin-2-ylethyl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
4-[methyl(2-pyridin-2-ylethyl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 359.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-pyridin-2-ylethyl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171388865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).