N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-pyridin-2-ylthiophene-2-carboxamide

C21H19N3O2S — CID 59761454

IUPACN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-pyridin-2-ylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C21H19N3O2S/c1-13-5-6-14(20(25)23-15-7-8-15)12-17(13)24-21(26)19-10-9-18(27-19)16-4-2-3-11-22-16/h2-6,9-12,15H,7-8H2,1H3,(H,23,25)(H,24,26)
InChIKeyCNPUBZBBLBMSAM-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.26
Rot. Bonds5

About N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-pyridin-2-ylthiophene-2-carboxamide

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-pyridin-2-ylthiophene-2-carboxamide (PubChem CID 59761454) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-pyridin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-pyridin-2-ylthiophene-2-carboxamide
PubChem CID59761454
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-pyridin-2-ylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C21H19N3O2S/c1-13-5-6-14(20(25)23-15-7-8-15)12-17(13)24-21(26)19-10-9-18(27-19)16-4-2-3-11-22-16/h2-6,9-12,15H,7-8H2,1H3,(H,23,25)(H,24,26)
InChIKeyCNPUBZBBLBMSAM-UHFFFAOYSA-N
XLogP4.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-pyridin-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-pyridin-2-ylthiophene-2-carboxamide (CID 59761454) is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-pyridin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-pyridin-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-pyridin-2-ylthiophene-2-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccccn2)s1.
What is the InChIKey of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-pyridin-2-ylthiophene-2-carboxamide?
The InChIKey is CNPUBZBBLBMSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-13-5-6-14(20(25)23-15-7-8-15)12-17(13)24-21(26)19-10-9-18(27-19)16-4-2-3-11-22-16/h2-6,9-12,15H,7-8H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-pyridin-2-ylthiophene-2-carboxamide?
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-pyridin-2-ylthiophene-2-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-pyridin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 59761454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).