7-[(4-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide

C15H15ClN4O — CID 173153662

IUPAC7-[(4-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc2c(n1)CN(Cc1ccc(Cl)cc1)CC2
InChIInChI=1S/C15H15ClN4O/c16-12-3-1-10(2-4-12)8-20-6-5-11-7-18-15(14(17)21)19-13(11)9-20/h1-4,7H,5-6,8-9H2,(H2,17,21)
InChIKeyXBZAXAZTZJFNBV-UHFFFAOYSA-N
MW302.77 g/mol
LogP1.79
Rot. Bonds3

About 7-[(4-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide

7-[(4-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (PubChem CID 173153662) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 7-[(4-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-[(4-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
PubChem CID173153662
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name7-[(4-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc2c(n1)CN(Cc1ccc(Cl)cc1)CC2
InChIInChI=1S/C15H15ClN4O/c16-12-3-1-10(2-4-12)8-20-6-5-11-7-18-15(14(17)21)19-13(11)9-20/h1-4,7H,5-6,8-9H2,(H2,17,21)
InChIKeyXBZAXAZTZJFNBV-UHFFFAOYSA-N
XLogP1.79
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153410
7-[(4-fluoro-3-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153381
7-[(3-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153441
2-(4-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930296
7-ethylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153415
7-(3-chloro-4-fluorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153673
7-(2-phenoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153233
2-(4-chlorophenyl)-7-[(4,6-dichloropyrimidin-5-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930863
7-(4-tert-butylbenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153318
7-[(6-chloro-3-pyridinyl)methyl]-2-cyclopropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931195
2-(4-chlorophenyl)-7-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930380
7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153608

Frequently Asked Questions

What is the IUPAC name of 7-[(4-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-[(4-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (CID 173153662) is 7-[(4-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-[(4-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-[(4-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is NC(=O)c1ncc2c(n1)CN(Cc1ccc(Cl)cc1)CC2.
What is the InChIKey of 7-[(4-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The InChIKey is XBZAXAZTZJFNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c16-12-3-1-10(2-4-12)8-20-6-5-11-7-18-15(14(17)21)19-13(11)9-20/h1-4,7H,5-6,8-9H2,(H2,17,21).
What are the key properties of 7-[(4-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
7-[(4-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide has a molecular weight of 302.77 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 173153662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).