5-[3-(aminomethyl)phenyl]-1-benzyl-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one

C22H22N4O — CID 169003488

IUPAC5-[3-(aminomethyl)phenyl]-1-benzyl-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCN1Cc2c(-c3cccc(CN)c3)ccnc2N(Cc2ccccc2)C1=O
InChIInChI=1S/C22H22N4O/c1-25-15-20-19(18-9-5-8-17(12-18)13-23)10-11-24-21(20)26(22(25)27)14-16-6-3-2-4-7-16/h2-12H,13-15,23H2,1H3
InChIKeyQBWPIEYBRKEKHS-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.78
Rot. Bonds4

About 5-[3-(aminomethyl)phenyl]-1-benzyl-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one

5-[3-(aminomethyl)phenyl]-1-benzyl-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 169003488) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 5-[3-(aminomethyl)phenyl]-1-benzyl-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name5-[3-(aminomethyl)phenyl]-1-benzyl-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID169003488
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name5-[3-(aminomethyl)phenyl]-1-benzyl-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCN1Cc2c(-c3cccc(CN)c3)ccnc2N(Cc2ccccc2)C1=O
InChIInChI=1S/C22H22N4O/c1-25-15-20-19(18-9-5-8-17(12-18)13-23)10-11-24-21(20)26(22(25)27)14-16-6-3-2-4-7-16/h2-12H,13-15,23H2,1H3
InChIKeyQBWPIEYBRKEKHS-UHFFFAOYSA-N
XLogP3.78
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-methyl-2-oxo-5-[4-[(sulfamoylamino)methyl]phenyl]-4H-pyrido[2,3-d]pyrimidine
CID 169003367
3-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazolidine-2,4-dione
CID 28824030
5-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydrochloride
CID 169003420
4-[3-(aminomethyl)phenyl]-2-benzylphthalazin-1-one;hydrochloride
CID 157040231
1-[3-[4-(aminomethyl)-2-pyridinyl]phenyl]-2-phenylethanone
CID 159973548
[3-(2-chlorophenyl)phenyl]methanamine
CID 1392189
[3-(7-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)phenyl]methanamine
CID 82583671
tert-butyl N-[[3-(3-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate
CID 169003461
[4-(3-methyl-4-phenyl-2-pyridinyl)phenyl]methanamine
CID 135146926
8-[3-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one
CID 144514912
3-methyl-1-[[2-(methylamino)-4-pyridinyl]methyl]-4H-quinazolin-2-one
CID 82010317
[3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033657

Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)phenyl]-1-benzyl-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 5-[3-(aminomethyl)phenyl]-1-benzyl-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one (CID 169003488) is 5-[3-(aminomethyl)phenyl]-1-benzyl-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 5-[3-(aminomethyl)phenyl]-1-benzyl-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 5-[3-(aminomethyl)phenyl]-1-benzyl-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one is CN1Cc2c(-c3cccc(CN)c3)ccnc2N(Cc2ccccc2)C1=O.
What is the InChIKey of 5-[3-(aminomethyl)phenyl]-1-benzyl-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is QBWPIEYBRKEKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-25-15-20-19(18-9-5-8-17(12-18)13-23)10-11-24-21(20)26(22(25)27)14-16-6-3-2-4-7-16/h2-12H,13-15,23H2,1H3.
What are the key properties of 5-[3-(aminomethyl)phenyl]-1-benzyl-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one?
5-[3-(aminomethyl)phenyl]-1-benzyl-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 358.45 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)phenyl]-1-benzyl-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 169003488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).