4-amino-1-cyclopropyl-N-[1-(2-methylphenyl)ethyl]pyrrole-2-carboxamide

C17H21N3O — CID 61118471

IUPAC4-amino-1-cyclopropyl-N-[1-(2-methylphenyl)ethyl]pyrrole-2-carboxamide
SMILESCc1ccccc1C(C)NC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C17H21N3O/c1-11-5-3-4-6-15(11)12(2)19-17(21)16-9-13(18)10-20(16)14-7-8-14/h3-6,9-10,12,14H,7-8,18H2,1-2H3,(H,19,21)
InChIKeyLTIGCTRDWCSXML-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.20
Rot. Bonds4

About 4-amino-1-cyclopropyl-N-[1-(2-methylphenyl)ethyl]pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-[1-(2-methylphenyl)ethyl]pyrrole-2-carboxamide (PubChem CID 61118471) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-[1-(2-methylphenyl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-[1-(2-methylphenyl)ethyl]pyrrole-2-carboxamide
PubChem CID61118471
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-amino-1-cyclopropyl-N-[1-(2-methylphenyl)ethyl]pyrrole-2-carboxamide
SMILESCc1ccccc1C(C)NC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C17H21N3O/c1-11-5-3-4-6-15(11)12(2)19-17(21)16-9-13(18)10-20(16)14-7-8-14/h3-6,9-10,12,14H,7-8,18H2,1-2H3,(H,19,21)
InChIKeyLTIGCTRDWCSXML-UHFFFAOYSA-N
XLogP3.20
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-[1-(2-methylphenyl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-[1-(2-methylphenyl)ethyl]pyrrole-2-carboxamide (CID 61118471) is 4-amino-1-cyclopropyl-N-[1-(2-methylphenyl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-[1-(2-methylphenyl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-[1-(2-methylphenyl)ethyl]pyrrole-2-carboxamide is Cc1ccccc1C(C)NC(=O)c1cc(N)cn1C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-[1-(2-methylphenyl)ethyl]pyrrole-2-carboxamide?
The InChIKey is LTIGCTRDWCSXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-5-3-4-6-15(11)12(2)19-17(21)16-9-13(18)10-20(16)14-7-8-14/h3-6,9-10,12,14H,7-8,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-1-cyclopropyl-N-[1-(2-methylphenyl)ethyl]pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-[1-(2-methylphenyl)ethyl]pyrrole-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-[1-(2-methylphenyl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 61118471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).