N-[(3-methoxyphenyl)methyl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-2-carboxamide

C16H14N4O3 — CID 135982291

IUPACN-[(3-methoxyphenyl)methyl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3cnccc3c(=O)[nH]2)c1
InChIInChI=1S/C16H14N4O3/c1-23-11-4-2-3-10(7-11)8-18-16(22)14-19-13-9-17-6-5-12(13)15(21)20-14/h2-7,9H,8H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyRXDZSKPIHGVXOC-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.26
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-2-carboxamide

N-[(3-methoxyphenyl)methyl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-2-carboxamide (PubChem CID 135982291) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-2-carboxamide
PubChem CID135982291
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3cnccc3c(=O)[nH]2)c1
InChIInChI=1S/C16H14N4O3/c1-23-11-4-2-3-10(7-11)8-18-16(22)14-19-13-9-17-6-5-12(13)15(21)20-14/h2-7,9H,8H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyRXDZSKPIHGVXOC-UHFFFAOYSA-N
XLogP1.26
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
3-methoxy-N-(pyridin-3-yl)benzamide
CID 777049
2-(2-Propoxy-phenyl)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135433829
2-(2-Propoxy-phenyl)-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135504134
Nicotinamide, N-benzyl-2-(p-methoxyanilino)-
CID 1440879
2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide
CID 134823957
N-[6-(Cyclohexanecarbonyl-amino)-pyridin-3-yl]-3-methoxy-benzamide
CID 1452688
N-[6-(cyclopropanecarbonylamino)pyridin-3-yl]-3-methoxybenzamide
CID 1452890
N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2984987
N-[3-(3-Methoxy-benzoylamino)-propyl]-nicotinamide
CID 2989253
N-(4-methoxyphenyl)-1-(3-pyridinylcarbonyl)-3-piperidinamine
CID 24793000

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-2-carboxamide (CID 135982291) is N-[(3-methoxyphenyl)methyl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-2-carboxamide is COc1cccc(CNC(=O)c2nc3cnccc3c(=O)[nH]2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The InChIKey is RXDZSKPIHGVXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-23-11-4-2-3-10(7-11)8-18-16(22)14-19-13-9-17-6-5-12(13)15(21)20-14/h2-7,9H,8H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-2-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 135982291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).