4-amino-N-cyclopropyl-1-ethyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide

C15H19N3OS — CID 61433686

IUPAC4-amino-N-cyclopropyl-1-ethyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H19N3OS/c1-2-17-9-12(16)7-14(17)15(19)18(13-3-4-13)8-11-5-6-20-10-11/h5-7,9-10,13H,2-4,8,16H2,1H3
InChIKeySHWNTPOVGZEEIF-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.96
Rot. Bonds5

About 4-amino-N-cyclopropyl-1-ethyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide

4-amino-N-cyclopropyl-1-ethyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide (PubChem CID 61433686) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-1-ethyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-1-ethyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
PubChem CID61433686
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-amino-N-cyclopropyl-1-ethyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H19N3OS/c1-2-17-9-12(16)7-14(17)15(19)18(13-3-4-13)8-11-5-6-20-10-11/h5-7,9-10,13H,2-4,8,16H2,1H3
InChIKeySHWNTPOVGZEEIF-UHFFFAOYSA-N
XLogP2.96
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-cyclopropyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 61433687
4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide
CID 61107485
4-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 43643682
4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 55006736
ethyl 2-[(4-amino-1-ethylpyrrole-2-carbonyl)-cyclopropylamino]acetate
CID 61114978
2-amino-N-cyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62508692
4-amino-1-ethyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 61118691
2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide
CID 60598427
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzamide
CID 55138412
4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
CID 43643445
N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide
CID 51055390
4-amino-N-cyclopropyl-6-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 81240954

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-1-ethyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-1-ethyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide (CID 61433686) is 4-amino-N-cyclopropyl-1-ethyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-1-ethyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-1-ethyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-1-ethyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is SHWNTPOVGZEEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-17-9-12(16)7-14(17)15(19)18(13-3-4-13)8-11-5-6-20-10-11/h5-7,9-10,13H,2-4,8,16H2,1H3.
What are the key properties of 4-amino-N-cyclopropyl-1-ethyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide?
4-amino-N-cyclopropyl-1-ethyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-1-ethyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 61433686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).