4-oxo-3H-pyrido[3,4-d]pyrimidine-8-carboxamide

C8H6N4O2 — CID 136591240

IUPAC4-oxo-3H-pyrido[3,4-d]pyrimidine-8-carboxamide
SMILESNC(=O)c1nccc2c(=O)[nH]cnc12
InChIInChI=1S/C8H6N4O2/c9-7(13)6-5-4(1-2-10-6)8(14)12-3-11-5/h1-3H,(H2,9,13)(H,11,12,14)
InChIKeyKPKOIPXWZVAUGX-UHFFFAOYSA-N
MW190.16 g/mol
LogP-0.58
Rot. Bonds1

About 4-oxo-3H-pyrido[3,4-d]pyrimidine-8-carboxamide

4-oxo-3H-pyrido[3,4-d]pyrimidine-8-carboxamide (PubChem CID 136591240) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is 4-oxo-3H-pyrido[3,4-d]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name4-oxo-3H-pyrido[3,4-d]pyrimidine-8-carboxamide
PubChem CID136591240
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name4-oxo-3H-pyrido[3,4-d]pyrimidine-8-carboxamide
SMILESNC(=O)c1nccc2c(=O)[nH]cnc12
InChIInChI=1S/C8H6N4O2/c9-7(13)6-5-4(1-2-10-6)8(14)12-3-11-5/h1-3H,(H2,9,13)(H,11,12,14)
InChIKeyKPKOIPXWZVAUGX-UHFFFAOYSA-N
XLogP-0.58
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-3H-pyrido[3,4-d]pyrimidine-8-carboxylic acid
CID 163272160
8-(methylaminomethyl)-3H-pyrido[3,4-d]pyrimidin-4-one
CID 138511709
N,3-dimethyl-1-(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)pyrrolidine-3-carboxamide
CID 154763274
3,7-dihydropyrrolo[2,3-h]quinazolin-4-one
CID 152522842
N-[1-(3-chloro-2-fluoroanilino)-6-methylisoquinolin-5-yl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-8-carboxamide
CID 169281132
8-(2-aminoethyl)-3H-quinazolin-4-one
CID 174220949
3-(2,2-difluoroethyl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 173092617
tert-butyl N-[(2R)-4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)amino]butan-2-yl]carbamate
CID 137153000
isoquinoline-1-carboxamide;hydrochloride
CID 57458906
8-[2-(2-hydroxyethylamino)-1,3-thiazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137053145
2-(1H-imidazo[4,5-c]pyridin-4-yl)acetamide
CID 140604998
2-methylpyrazolo[3,4-c]pyridine-7-carboxamide
CID 163404734

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3H-pyrido[3,4-d]pyrimidine-8-carboxamide?
The IUPAC name of 4-oxo-3H-pyrido[3,4-d]pyrimidine-8-carboxamide (CID 136591240) is 4-oxo-3H-pyrido[3,4-d]pyrimidine-8-carboxamide.
What is the SMILES notation for 4-oxo-3H-pyrido[3,4-d]pyrimidine-8-carboxamide?
The canonical SMILES for 4-oxo-3H-pyrido[3,4-d]pyrimidine-8-carboxamide is NC(=O)c1nccc2c(=O)[nH]cnc12.
What is the InChIKey of 4-oxo-3H-pyrido[3,4-d]pyrimidine-8-carboxamide?
The InChIKey is KPKOIPXWZVAUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c9-7(13)6-5-4(1-2-10-6)8(14)12-3-11-5/h1-3H,(H2,9,13)(H,11,12,14).
What are the key properties of 4-oxo-3H-pyrido[3,4-d]pyrimidine-8-carboxamide?
4-oxo-3H-pyrido[3,4-d]pyrimidine-8-carboxamide has a molecular weight of 190.16 g/mol, XLogP of -0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3H-pyrido[3,4-d]pyrimidine-8-carboxamide is sourced from PubChem (CID 136591240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).