2-amino-N-methyl-1-propan-2-ylpyrrole-3-carboxamide

C9H15N3O — CID 117213756

IUPAC2-amino-N-methyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCNC(=O)c1ccn(C(C)C)c1N
InChIInChI=1S/C9H15N3O/c1-6(2)12-5-4-7(8(12)10)9(13)11-3/h4-6H,10H2,1-3H3,(H,11,13)
InChIKeyUJKOEVPSYGELEQ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.01
Rot. Bonds2

About 2-amino-N-methyl-1-propan-2-ylpyrrole-3-carboxamide

2-amino-N-methyl-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 117213756) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-amino-N-methyl-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID117213756
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-amino-N-methyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCNC(=O)c1ccn(C(C)C)c1N
InChIInChI=1S/C9H15N3O/c1-6(2)12-5-4-7(8(12)10)9(13)11-3/h4-6H,10H2,1-3H3,(H,11,13)
InChIKeyUJKOEVPSYGELEQ-UHFFFAOYSA-N
XLogP1.01
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of 2-amino-N-methyl-1-propan-2-ylpyrrole-3-carboxamide (CID 117213756) is 2-amino-N-methyl-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 2-amino-N-methyl-1-propan-2-ylpyrrole-3-carboxamide is CNC(=O)c1ccn(C(C)C)c1N.
What is the InChIKey of 2-amino-N-methyl-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is UJKOEVPSYGELEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(2)12-5-4-7(8(12)10)9(13)11-3/h4-6H,10H2,1-3H3,(H,11,13).
What are the key properties of 2-amino-N-methyl-1-propan-2-ylpyrrole-3-carboxamide?
2-amino-N-methyl-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 117213756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).