N-(2-aminoethyl)-1,4-dimethylpyrrole-2-carboxamide

C9H15N3O — CID 140567735

IUPACN-(2-aminoethyl)-1,4-dimethylpyrrole-2-carboxamide
SMILESCc1cc(C(=O)NCCN)n(C)c1
InChIInChI=1S/C9H15N3O/c1-7-5-8(12(2)6-7)9(13)11-4-3-10/h5-6H,3-4,10H2,1-2H3,(H,11,13)
InChIKeyBZNBRKANUZENAD-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.02
Rot. Bonds3

About N-(2-aminoethyl)-1,4-dimethylpyrrole-2-carboxamide

N-(2-aminoethyl)-1,4-dimethylpyrrole-2-carboxamide (PubChem CID 140567735) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(2-aminoethyl)-1,4-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1,4-dimethylpyrrole-2-carboxamide
PubChem CID140567735
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(2-aminoethyl)-1,4-dimethylpyrrole-2-carboxamide
SMILESCc1cc(C(=O)NCCN)n(C)c1
InChIInChI=1S/C9H15N3O/c1-7-5-8(12(2)6-7)9(13)11-4-3-10/h5-6H,3-4,10H2,1-2H3,(H,11,13)
InChIKeyBZNBRKANUZENAD-UHFFFAOYSA-N
XLogP0.02
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-1,4-dimethylpyrrole-2-carboxamide
CID 59268176
CID 158010749
CID 158010749
4-amino-N-[5-(2-aminoethylcarbamoyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 69176970
N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1,4-dimethylpyrrole-2-carboxamide
CID 59057978
N-[5-(2-aminoethylcarbamoyl)-1-methylpyrrol-3-yl]-1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide
CID 101100175
4-iodo-1-methyl-N-propylpyrrole-2-carboxamide
CID 168679993
N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide
CID 110833567
N-(2-aminoethyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 28818964
4-chloro-1-methyl-N-(2-sulfamoylethyl)pyrrole-2-carboxamide
CID 61066534
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120701
N-[5-(2-aminoethylcarbamoyl)-1-methylpyrrol-3-yl]isoquinoline-3-carboxamide
CID 23518740

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1,4-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1,4-dimethylpyrrole-2-carboxamide (CID 140567735) is N-(2-aminoethyl)-1,4-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1,4-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1,4-dimethylpyrrole-2-carboxamide is Cc1cc(C(=O)NCCN)n(C)c1.
What is the InChIKey of N-(2-aminoethyl)-1,4-dimethylpyrrole-2-carboxamide?
The InChIKey is BZNBRKANUZENAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-5-8(12(2)6-7)9(13)11-4-3-10/h5-6H,3-4,10H2,1-2H3,(H,11,13).
What are the key properties of N-(2-aminoethyl)-1,4-dimethylpyrrole-2-carboxamide?
N-(2-aminoethyl)-1,4-dimethylpyrrole-2-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1,4-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 140567735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).