2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C29H29N5O2 — CID 42855607

IUPAC2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(Oc2nc(N(C)Cc3ccccc3)nc3c2CN(C(=O)Nc2ccccc2)CC3)cc1
InChIInChI=1S/C29H29N5O2/c1-21-13-15-24(16-14-21)36-27-25-20-34(29(35)30-23-11-7-4-8-12-23)18-17-26(25)31-28(32-27)33(2)19-22-9-5-3-6-10-22/h3-16H,17-20H2,1-2H3,(H,30,35)
InChIKeyXRBICFGJXGJJMA-UHFFFAOYSA-N
MW479.58 g/mol
LogP5.80
Rot. Bonds6

About 2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 42855607) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID42855607
Molecular FormulaC29H29N5O2
Molecular Weight479.58 g/mol
Exact Mass479.23
IUPAC Name2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(Oc2nc(N(C)Cc3ccccc3)nc3c2CN(C(=O)Nc2ccccc2)CC3)cc1
InChIInChI=1S/C29H29N5O2/c1-21-13-15-24(16-14-21)36-27-25-20-34(29(35)30-23-11-7-4-8-12-23)18-17-26(25)31-28(32-27)33(2)19-22-9-5-3-6-10-22/h3-16H,17-20H2,1-2H3,(H,30,35)
InChIKeyXRBICFGJXGJJMA-UHFFFAOYSA-N
XLogP5.80
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-N-phenyl-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

2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42871047
2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42871044
[2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone
CID 42855456
3-[2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]benzonitrile
CID 46073712
6-(benzenesulfonyl)-N-benzyl-N-methyl-4-(4-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 46050812
[2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylphenyl)methanone
CID 46073682
2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46050901
[2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone
CID 46073681
[2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,6-difluorophenyl)methanone
CID 46073684
N-benzyl-6-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-4-(4-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 46072356
[2-[benzyl(methyl)amino]-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-chlorophenyl)methanone
CID 46073350
4-(4-fluoro-3-methylphenoxy)-N-phenyl-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46072991

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 42855607) is 2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is Cc1ccc(Oc2nc(N(C)Cc3ccccc3)nc3c2CN(C(=O)Nc2ccccc2)CC3)cc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is XRBICFGJXGJJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2/c1-21-13-15-24(16-14-21)36-27-25-20-34(29(35)30-23-11-7-4-8-12-23)18-17-26(25)31-28(32-27)33(2)19-22-9-5-3-6-10-22/h3-16H,17-20H2,1-2H3,(H,30,35).
What are the key properties of 2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42855607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).