[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-2-methylpropyl]carbamic acid

C19H20N4O3 — CID 22172618

IUPAC[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-2-methylpropyl]carbamic acid
SMILESCC(C)C(NC(=O)O)c1nc2ccncc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C19H20N4O3/c1-12(2)16(22-19(25)26)17-21-15-8-9-20-10-14(15)18(24)23(17)11-13-6-4-3-5-7-13/h3-10,12,16,22H,11H2,1-2H3,(H,25,26)
InChIKeyURLBUQPNKJXEQW-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.80
Rot. Bonds5

About [1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-2-methylpropyl]carbamic acid

[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-2-methylpropyl]carbamic acid (PubChem CID 22172618) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is [1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-2-methylpropyl]carbamic acid.

Molecular Properties

Compound Name[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-2-methylpropyl]carbamic acid
PubChem CID22172618
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-2-methylpropyl]carbamic acid
SMILESCC(C)C(NC(=O)O)c1nc2ccncc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C19H20N4O3/c1-12(2)16(22-19(25)26)17-21-15-8-9-20-10-14(15)18(24)23(17)11-13-6-4-3-5-7-13/h3-10,12,16,22H,11H2,1-2H3,(H,25,26)
InChIKeyURLBUQPNKJXEQW-UHFFFAOYSA-N
XLogP2.80
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-2-phenylpyrido[4,3-d]pyrimidin-4-one
CID 134850585
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-3-methylbutan-2-yl]-4-methylbenzamide
CID 11317976
3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one
CID 769316
tert-butyl N-[1-(1-benzyl-5-methylbenzimidazol-2-yl)-2-methylpropyl]carbamate
CID 66886965
3-benzyl-2-[(1S)-1-(2-methylpropylamino)ethyl]quinazolin-4-one
CID 769323
tert-butyl N-[1-[[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]amino]-2-methylpropan-2-yl]carbamate
CID 69074256
4-benzyl-2-(3,5-dimethylanilino)pyrido[3,4-b]pyrazin-3-one
CID 87054681
3-benzyl-2-[2-methyl-1-(2-methylimidazol-1-yl)propyl]quinazolin-4-one
CID 21097005
3-benzyl-2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one
CID 1052006
3-benzylpyrido[4,3-d]pyrimidin-4-one
CID 102429043
7-hydroxy-2-propan-2-yl-3-(pyridin-3-ylmethyl)quinazolin-4-one
CID 67112722
2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one
CID 22238798

Frequently Asked Questions

What is the IUPAC name of [1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-2-methylpropyl]carbamic acid?
The IUPAC name of [1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-2-methylpropyl]carbamic acid (CID 22172618) is [1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-2-methylpropyl]carbamic acid.
What is the SMILES notation for [1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-2-methylpropyl]carbamic acid?
The canonical SMILES for [1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-2-methylpropyl]carbamic acid is CC(C)C(NC(=O)O)c1nc2ccncc2c(=O)n1Cc1ccccc1.
What is the InChIKey of [1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-2-methylpropyl]carbamic acid?
The InChIKey is URLBUQPNKJXEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12(2)16(22-19(25)26)17-21-15-8-9-20-10-14(15)18(24)23(17)11-13-6-4-3-5-7-13/h3-10,12,16,22H,11H2,1-2H3,(H,25,26).
What are the key properties of [1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-2-methylpropyl]carbamic acid?
[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-2-methylpropyl]carbamic acid has a molecular weight of 352.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-2-methylpropyl]carbamic acid is sourced from PubChem (CID 22172618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).