3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide

C14H13BrN2OS — CID 60777644

IUPAC3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1sccc1Br)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C14H13BrN2OS/c15-12-5-8-19-13(12)14(18)17(11-1-2-11)9-10-3-6-16-7-4-10/h3-8,11H,1-2,9H2
InChIKeyDYCKAWBFPATXDU-UHFFFAOYSA-N
MW337.24 g/mol
LogP3.71
Rot. Bonds4

About 3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide

3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 60777644) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
PubChem CID60777644
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC Name3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1sccc1Br)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C14H13BrN2OS/c15-12-5-8-19-13(12)14(18)17(11-1-2-11)9-10-3-6-16-7-4-10/h3-8,11H,1-2,9H2
InChIKeyDYCKAWBFPATXDU-UHFFFAOYSA-N
XLogP3.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-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-[(3-bromothiophene-2-carbonyl)-cyclopropylamino]acetic acid
CID 62034468
2-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 103752593
3-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]thiophene-2-carboxamide
CID 55761445
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
CID 63797804
N-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-cyclopropylthiophene-2-carboxamide
CID 55240299
N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide
CID 47017136
1-(3-bromothiophen-2-yl)-2-[ethyl(pyridin-4-ylmethyl)amino]ethanone
CID 62052106
3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 113223704
3-bromo-N,N-dicyclopentylthiophene-2-carboxamide
CID 60619670
N-cyclopropyl-4-(1,3-dithiolan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 86919919
3-[cyclopropyl(pyridin-4-ylmethyl)amino]-3-oxopropanoic acid
CID 62230754

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (CID 60777644) is 3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is O=C(c1sccc1Br)N(Cc1ccncc1)C1CC1.
What is the InChIKey of 3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is DYCKAWBFPATXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c15-12-5-8-19-13(12)14(18)17(11-1-2-11)9-10-3-6-16-7-4-10/h3-8,11H,1-2,9H2.
What are the key properties of 3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 337.24 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 60777644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).