N-(4-methoxyphenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C28H29N7O2 — CID 71457643

IUPACN-(4-methoxyphenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3nc(-c4ccncc4)nc(N(C)CCc4ccccn4)c3C2)cc1
InChIInChI=1S/C28H29N7O2/c1-34(17-12-21-5-3-4-14-30-21)27-24-19-35(28(36)31-22-6-8-23(37-2)9-7-22)18-13-25(24)32-26(33-27)20-10-15-29-16-11-20/h3-11,14-16H,12-13,17-19H2,1-2H3,(H,31,36)
InChIKeyMEBZNQHZNOVCLS-UHFFFAOYSA-N
MW495.59 g/mol
LogP4.21
Rot. Bonds7

About N-(4-methoxyphenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N-(4-methoxyphenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 71457643) has the molecular formula C28H29N7O2 and a molecular weight of 495.59 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID71457643
Molecular FormulaC28H29N7O2
Molecular Weight495.59 g/mol
Exact Mass495.24
IUPAC NameN-(4-methoxyphenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3nc(-c4ccncc4)nc(N(C)CCc4ccccn4)c3C2)cc1
InChIInChI=1S/C28H29N7O2/c1-34(17-12-21-5-3-4-14-30-21)27-24-19-35(28(36)31-22-6-8-23(37-2)9-7-22)18-13-25(24)32-26(33-27)20-10-15-29-16-11-20/h3-11,14-16H,12-13,17-19H2,1-2H3,(H,31,36)
InChIKeyMEBZNQHZNOVCLS-UHFFFAOYSA-N
XLogP4.21
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-methoxyphenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-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

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 71457643) is N-(4-methoxyphenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is COc1ccc(NC(=O)N2CCc3nc(-c4ccncc4)nc(N(C)CCc4ccccn4)c3C2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is MEBZNQHZNOVCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O2/c1-34(17-12-21-5-3-4-14-30-21)27-24-19-35(28(36)31-22-6-8-23(37-2)9-7-22)18-13-25(24)32-26(33-27)20-10-15-29-16-11-20/h3-11,14-16H,12-13,17-19H2,1-2H3,(H,31,36).
What are the key properties of N-(4-methoxyphenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(4-methoxyphenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 495.59 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71457643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).