N-cyclopropyl-3-[4-(methylamino)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)benzamide

C20H20N4OS — CID 122565811

IUPACN-cyclopropyl-3-[4-(methylamino)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)benzamide
SMILESCNc1ccnc(-c2cccc(C(=O)N(Cc3ccsc3)C3CC3)c2)n1
InChIInChI=1S/C20H20N4OS/c1-21-18-7-9-22-19(23-18)15-3-2-4-16(11-15)20(25)24(17-5-6-17)12-14-8-10-26-13-14/h2-4,7-11,13,17H,5-6,12H2,1H3,(H,21,22,23)
InChIKeyOZEZTIRREJHGFK-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.05
Rot. Bonds6

About N-cyclopropyl-3-[4-(methylamino)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)benzamide

N-cyclopropyl-3-[4-(methylamino)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 122565811) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-(methylamino)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-(methylamino)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)benzamide
PubChem CID122565811
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC NameN-cyclopropyl-3-[4-(methylamino)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)benzamide
SMILESCNc1ccnc(-c2cccc(C(=O)N(Cc3ccsc3)C3CC3)c2)n1
InChIInChI=1S/C20H20N4OS/c1-21-18-7-9-22-19(23-18)15-3-2-4-16(11-15)20(25)24(17-5-6-17)12-14-8-10-26-13-14/h2-4,7-11,13,17H,5-6,12H2,1H3,(H,21,22,23)
InChIKeyOZEZTIRREJHGFK-UHFFFAOYSA-N
XLogP4.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-3-[4-(methylamino)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)benzamide 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

N-cyclopropyl-2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 62174755
N-cyclopropyl-2-(dimethylamino)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 51095237
N-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide
CID 61400460
N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 72717897
6-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
CID 113346712
N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
CID 72717904
N-cyclopropyl-4-[6-(dimethylamino)pyridazin-3-yl]-N-(thiophen-3-ylmethyl)benzamide
CID 119060388
N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 70729457
N-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-3-pyrazin-2-ylbenzamide
CID 118763811
N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide
CID 51055390
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]benzamide
CID 64592060
4-amino-N-cyclopropyl-6-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 81240954

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-(methylamino)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-3-[4-(methylamino)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)benzamide (CID 122565811) is N-cyclopropyl-3-[4-(methylamino)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-[4-(methylamino)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-3-[4-(methylamino)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)benzamide is CNc1ccnc(-c2cccc(C(=O)N(Cc3ccsc3)C3CC3)c2)n1.
What is the InChIKey of N-cyclopropyl-3-[4-(methylamino)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is OZEZTIRREJHGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-21-18-7-9-22-19(23-18)15-3-2-4-16(11-15)20(25)24(17-5-6-17)12-14-8-10-26-13-14/h2-4,7-11,13,17H,5-6,12H2,1H3,(H,21,22,23).
What are the key properties of N-cyclopropyl-3-[4-(methylamino)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)benzamide?
N-cyclopropyl-3-[4-(methylamino)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 364.47 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-(methylamino)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 122565811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).