N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide

C20H18N4OS — CID 97191740

IUPACN-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C20H18N4OS/c1-13-21-9-8-18(24-13)20(25)23-12-16(19-7-4-10-26-19)15-11-22-17-6-3-2-5-14(15)17/h2-11,16,22H,12H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyRJKQAXJEWHYFQR-INIZCTEOSA-N
MW362.46 g/mol
LogP3.89
Rot. Bonds5

About N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide

N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 97191740) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide
PubChem CID97191740
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC NameN-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C20H18N4OS/c1-13-21-9-8-18(24-13)20(25)23-12-16(19-7-4-10-26-19)15-11-22-17-6-3-2-5-14(15)17/h2-11,16,22H,12H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyRJKQAXJEWHYFQR-INIZCTEOSA-N
XLogP3.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-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

N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylpyrimidine-4-carboxamide
CID 52536064
2-chloro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide
CID 55442013
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
ethyl 6-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55678396
2-ethoxy-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 9119210
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55691271
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 55383976
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 42904645
2-(4-bromophenyl)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 27770907
1-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 55501917
3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 4858646
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 55329126

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide (CID 97191740) is N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide is Cc1nccc(C(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)n1.
What is the InChIKey of N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is RJKQAXJEWHYFQR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-13-21-9-8-18(24-13)20(25)23-12-16(19-7-4-10-26-19)15-11-22-17-6-3-2-5-14(15)17/h2-11,16,22H,12H2,1H3,(H,23,25)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide?
N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 97191740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).