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

C16H21N3OS — CID 61433687

IUPAC4-amino-N-cyclopropyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H21N3OS/c1-2-6-18-10-13(17)8-15(18)16(20)19(14-3-4-14)9-12-5-7-21-11-12/h5,7-8,10-11,14H,2-4,6,9,17H2,1H3
InChIKeyVGGNLTNYEGSSSN-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.35
Rot. Bonds6

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

4-amino-N-cyclopropyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide (PubChem CID 61433687) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
PubChem CID61433687
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name4-amino-N-cyclopropyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H21N3OS/c1-2-6-18-10-13(17)8-15(18)16(20)19(14-3-4-14)9-12-5-7-21-11-12/h5,7-8,10-11,14H,2-4,6,9,17H2,1H3
InChIKeyVGGNLTNYEGSSSN-UHFFFAOYSA-N
XLogP3.35
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-cyclopropyl-1-ethyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 61433686
4-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 43643682
4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
CID 43643445
4-bromo-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 54877540
2-amino-N-cyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62508692
4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide
CID 61107485
N-cyclopropyl-1-methyl-3-(2-methylpropyl)-N-(thiophen-3-ylmethyl)pyrazole-5-carboxamide
CID 131919121
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzamide
CID 55138412
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
2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide
CID 60598427
4-amino-N-(cyclopropylmethyl)-N,1-dipropylpyrrole-2-carboxamide
CID 43644066

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide (CID 61433687) is 4-amino-N-cyclopropyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is VGGNLTNYEGSSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-2-6-18-10-13(17)8-15(18)16(20)19(14-3-4-14)9-12-5-7-21-11-12/h5,7-8,10-11,14H,2-4,6,9,17H2,1H3.
What are the key properties of 4-amino-N-cyclopropyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide?
4-amino-N-cyclopropyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.35, 6 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-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 61433687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).