8-phenyl-2-(pyridin-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C19H18N6O — CID 131670752

IUPAC8-phenyl-2-(pyridin-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)N1Cc2cnc(Nc3cccnc3)nc2C(c2ccccc2)C1
InChIInChI=1S/C19H18N6O/c20-18(26)25-11-14-9-22-19(23-15-7-4-8-21-10-15)24-17(14)16(12-25)13-5-2-1-3-6-13/h1-10,16H,11-12H2,(H2,20,26)(H,22,23,24)
InChIKeyJSQFZOULVJXLIM-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.64
Rot. Bonds3

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

8-phenyl-2-(pyridin-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 131670752) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 8-phenyl-2-(pyridin-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name8-phenyl-2-(pyridin-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID131670752
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name8-phenyl-2-(pyridin-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)N1Cc2cnc(Nc3cccnc3)nc2C(c2ccccc2)C1
InChIInChI=1S/C19H18N6O/c20-18(26)25-11-14-9-22-19(23-15-7-4-8-21-10-15)24-17(14)16(12-25)13-5-2-1-3-6-13/h1-10,16H,11-12H2,(H2,20,26)(H,22,23,24)
InChIKeyJSQFZOULVJXLIM-UHFFFAOYSA-N
XLogP2.64
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-phenyl-2-(pyridin-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-(pyridin-3-ylamino)pyrimidine-5-carboxylic acid
CID 83181577
2-anilino-6,8-diphenyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 10318351
7-methyl-2-(pyridin-3-ylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 57388977
N-pyridin-3-ylpyrimidin-2-amine
CID 11593513
1-[(2R,6R)-12-anilino-7,7-dioxo-7λ6-thia-4,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-4-yl]-3-methylbutan-1-one
CID 125224955
tert-butyl 2-anilino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 45106267
1-[(4S)-7-chloro-4-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;1-[(4R)-7-chloro-4-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 165079990
4-(pyridin-3-ylamino)pyridine-2-carboxylic acid
CID 43143000
7-(2,3-dihydro-1H-inden-1-yl)-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one
CID 44548056
2-phenoxy-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 37111198
2-anilino-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
CID 90878069
2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80570815

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-2-(pyridin-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 8-phenyl-2-(pyridin-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 131670752) is 8-phenyl-2-(pyridin-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 8-phenyl-2-(pyridin-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 8-phenyl-2-(pyridin-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is NC(=O)N1Cc2cnc(Nc3cccnc3)nc2C(c2ccccc2)C1.
What is the InChIKey of 8-phenyl-2-(pyridin-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is JSQFZOULVJXLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c20-18(26)25-11-14-9-22-19(23-15-7-4-8-21-10-15)24-17(14)16(12-25)13-5-2-1-3-6-13/h1-10,16H,11-12H2,(H2,20,26)(H,22,23,24).
What are the key properties of 8-phenyl-2-(pyridin-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
8-phenyl-2-(pyridin-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-2-(pyridin-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 131670752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).