2-[benzyl(methyl)amino]-N-[3-(4-cyanophenyl)-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide

C29H27N5O2 — CID 67013211

IUPAC2-[benzyl(methyl)amino]-N-[3-(4-cyanophenyl)-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide
SMILESCN(Cc1ccccc1)c1ncc(C(=O)NCCC(O)c2ccc(C#N)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C29H27N5O2/c1-34(20-22-8-4-2-5-9-22)29-32-19-25(27(33-29)24-10-6-3-7-11-24)28(36)31-17-16-26(35)23-14-12-21(18-30)13-15-23/h2-15,19,26,35H,16-17,20H2,1H3,(H,31,36)
InChIKeyYNDJEZNPGGMFRA-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.51
Rot. Bonds9

About 2-[benzyl(methyl)amino]-N-[3-(4-cyanophenyl)-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide

2-[benzyl(methyl)amino]-N-[3-(4-cyanophenyl)-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide (PubChem CID 67013211) has the molecular formula C29H27N5O2 and a molecular weight of 477.57 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[3-(4-cyanophenyl)-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[3-(4-cyanophenyl)-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide
PubChem CID67013211
Molecular FormulaC29H27N5O2
Molecular Weight477.57 g/mol
Exact Mass477.22
IUPAC Name2-[benzyl(methyl)amino]-N-[3-(4-cyanophenyl)-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide
SMILESCN(Cc1ccccc1)c1ncc(C(=O)NCCC(O)c2ccc(C#N)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C29H27N5O2/c1-34(20-22-8-4-2-5-9-22)29-32-19-25(27(33-29)24-10-6-3-7-11-24)28(36)31-17-16-26(35)23-14-12-21(18-30)13-15-23/h2-15,19,26,35H,16-17,20H2,1H3,(H,31,36)
InChIKeyYNDJEZNPGGMFRA-UHFFFAOYSA-N
XLogP4.51
TPSA102.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[benzyl(methyl)amino]-N-[3-(4-cyanophenyl)-3-hydroxypropyl]-4-phenylpyrimidine-5-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-(2-chlorophenyl)-N-[3-(3,4-dihydroxyphenyl)-3-hydroxypropyl]pyrimidine-5-carboxamide
CID 67014343
2-(dimethylamino)-N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenylpyrimidine-5-carboxamide
CID 11338343
2-(dimethylamino)-N-[3-[3-(2,2-dimethylpropanoylamino)phenyl]-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide
CID 11225288
ethyl 2-[benzyl(methyl)amino]-4-phenylpyrimidine-5-carboxylate
CID 68644845
4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 96568296
[2-[benzyl(methyl)amino]-4-phenylpyrimidin-5-yl] N-[2-(4-chlorophenyl)-2-hydroxyethyl]-N-methylcarbamate
CID 68886780
[2-[benzyl(methyl)amino]-4-phenylpyrimidin-5-yl] N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylcarbamate
CID 68851709
N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide
CID 111471949
3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 90499508
6-[benzyl(methyl)amino]pyridine-3-carbonitrile
CID 24690148
N-[2-(dimethylamino)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide
CID 20913631
2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246891

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[3-(4-cyanophenyl)-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[3-(4-cyanophenyl)-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide (CID 67013211) is 2-[benzyl(methyl)amino]-N-[3-(4-cyanophenyl)-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[3-(4-cyanophenyl)-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[3-(4-cyanophenyl)-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide is CN(Cc1ccccc1)c1ncc(C(=O)NCCC(O)c2ccc(C#N)cc2)c(-c2ccccc2)n1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[3-(4-cyanophenyl)-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide?
The InChIKey is YNDJEZNPGGMFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O2/c1-34(20-22-8-4-2-5-9-22)29-32-19-25(27(33-29)24-10-6-3-7-11-24)28(36)31-17-16-26(35)23-14-12-21(18-30)13-15-23/h2-15,19,26,35H,16-17,20H2,1H3,(H,31,36).
What are the key properties of 2-[benzyl(methyl)amino]-N-[3-(4-cyanophenyl)-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide?
2-[benzyl(methyl)amino]-N-[3-(4-cyanophenyl)-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 4.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[3-(4-cyanophenyl)-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 67013211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).