N-methyl-3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]-N-phenylbenzamide

C32H26N4O3 — CID 505016

IUPACN-methyl-3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(N(Cc2ccc3ccccc3c2)C(=O)CC(=O)c2ncccn2)c1)c1ccccc1
InChIInChI=1S/C32H26N4O3/c1-35(27-12-3-2-4-13-27)32(39)26-11-7-14-28(20-26)36(30(38)21-29(37)31-33-17-8-18-34-31)22-23-15-16-24-9-5-6-10-25(24)19-23/h2-20H,21-22H2,1H3
InChIKeyLOZBSIDKHGQANY-UHFFFAOYSA-N
MW514.59 g/mol
LogP5.71
Rot. Bonds8

About N-methyl-3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]-N-phenylbenzamide

N-methyl-3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]-N-phenylbenzamide (PubChem CID 505016) has the molecular formula C32H26N4O3 and a molecular weight of 514.59 g/mol. Its IUPAC name is N-methyl-3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]-N-phenylbenzamide.

Molecular Properties

Compound NameN-methyl-3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]-N-phenylbenzamide
PubChem CID505016
Molecular FormulaC32H26N4O3
Molecular Weight514.59 g/mol
Exact Mass514.20
IUPAC NameN-methyl-3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(N(Cc2ccc3ccccc3c2)C(=O)CC(=O)c2ncccn2)c1)c1ccccc1
InChIInChI=1S/C32H26N4O3/c1-35(27-12-3-2-4-13-27)32(39)26-11-7-14-28(20-26)36(30(38)21-29(37)31-33-17-8-18-34-31)22-23-15-16-24-9-5-6-10-25(24)19-23/h2-20H,21-22H2,1H3
InChIKeyLOZBSIDKHGQANY-UHFFFAOYSA-N
XLogP5.71
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.59
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-methyl-3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]-N-phenylbenzamide 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

6-((Z)-Amino(Imino)Methyl)-N-(4-(Aminomethyl)Phenyl)-4-(Pyrimidin-2-Ylamino)-2-Naphthamide
CID 448605
6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide
CID 10278414
N-{4-Methyl-3-[8-Methyl-7-Oxo-2-(Phenylamino)-7,8-Dihydropyrido[2,3-D]pyrimidin-6-Yl]phenyl}-3-(Trifluoromethyl)benzamide
CID 60147016
(S)-N-ethyl-N-(2-(1-phenylethylamino)pyridin-4-yl)-2-naphthamide
CID 11463583
(S)-N-(4-fluorobenzyl)-N-(2-(1-phenylethylamino)pyridin-4-yl)-2-naphthamide
CID 11465681
2,3-Dimethyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid (4-pyrimidin-5-yl-butyl)-amide
CID 13557499
(S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-yl)-2-naphthamide
CID 46886449
(S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 46886481
N-[3-[[2-(3-aminoanilino)pyrimidin-5-yl]carbamoyl]-4-methylphenyl]naphthalene-2-carboxamide
CID 71555872
N-[4-methyl-3-[[2-[3-(prop-2-enoylamino)anilino]pyrimidin-5-yl]carbamoyl]phenyl]naphthalene-2-carboxamide
CID 71556770
N-[4-(aminomethyl)phenyl]-6-[(Z)-N'-hydroxycarbamimidoyl]-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide
CID 10305055
{1-[(2,6-Dimethyl-4-pyrimidinyl)carbonyl]-3-piperidinyl}(1-naphthyl)methanone
CID 16188650

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]-N-phenylbenzamide?
The IUPAC name of N-methyl-3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]-N-phenylbenzamide (CID 505016) is N-methyl-3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]-N-phenylbenzamide.
What is the SMILES notation for N-methyl-3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]-N-phenylbenzamide?
The canonical SMILES for N-methyl-3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]-N-phenylbenzamide is CN(C(=O)c1cccc(N(Cc2ccc3ccccc3c2)C(=O)CC(=O)c2ncccn2)c1)c1ccccc1.
What is the InChIKey of N-methyl-3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]-N-phenylbenzamide?
The InChIKey is LOZBSIDKHGQANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O3/c1-35(27-12-3-2-4-13-27)32(39)26-11-7-14-28(20-26)36(30(38)21-29(37)31-33-17-8-18-34-31)22-23-15-16-24-9-5-6-10-25(24)19-23/h2-20H,21-22H2,1H3.
What are the key properties of N-methyl-3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]-N-phenylbenzamide?
N-methyl-3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]-N-phenylbenzamide has a molecular weight of 514.59 g/mol, XLogP of 5.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]-N-phenylbenzamide is sourced from PubChem (CID 505016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).