N-(2-aminopropyl)-1H-pyrrole-2-carboxamide

C8H13N3O — CID 63732088

IUPACN-(2-aminopropyl)-1H-pyrrole-2-carboxamide
SMILESCC(N)CNC(=O)c1ccc[nH]1
InChIInChI=1S/C8H13N3O/c1-6(9)5-11-8(12)7-3-2-4-10-7/h2-4,6,10H,5,9H2,1H3,(H,11,12)
InChIKeyIOLJORFYFAVNNB-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.09
Rot. Bonds3

About N-(2-aminopropyl)-1H-pyrrole-2-carboxamide

N-(2-aminopropyl)-1H-pyrrole-2-carboxamide (PubChem CID 63732088) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(2-aminopropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-1H-pyrrole-2-carboxamide
PubChem CID63732088
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-(2-aminopropyl)-1H-pyrrole-2-carboxamide
SMILESCC(N)CNC(=O)c1ccc[nH]1
InChIInChI=1S/C8H13N3O/c1-6(9)5-11-8(12)7-3-2-4-10-7/h2-4,6,10H,5,9H2,1H3,(H,11,12)
InChIKeyIOLJORFYFAVNNB-UHFFFAOYSA-N
XLogP0.09
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydroxypropyl)-1H-pyrrole-2-carboxamide
CID 66177691
N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 18712343
N-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 81483032
N-(3-oxopentan-2-yl)-1H-pyrrole-2-carboxamide
CID 166130167
N-(2-aminopropyl)-2,6-difluorobenzamide
CID 63732942
N-(3-hydroxypentyl)-1H-pyrrole-2-carboxamide
CID 115703464
N-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide
CID 63732311
N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110445345
N-but-2-ynyl-1H-pyrrole-2-carboxamide;ethane
CID 143657649
N-[(4-aminophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 110480990
3-hydroxy-2-(1H-pyrrole-2-carbonylamino)butanoic acid
CID 43208803
N-(1-aminohexan-2-yl)-1H-pyrrole-2-carboxamide
CID 80697811

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-aminopropyl)-1H-pyrrole-2-carboxamide (CID 63732088) is N-(2-aminopropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-aminopropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-aminopropyl)-1H-pyrrole-2-carboxamide is CC(N)CNC(=O)c1ccc[nH]1.
What is the InChIKey of N-(2-aminopropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is IOLJORFYFAVNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(9)5-11-8(12)7-3-2-4-10-7/h2-4,6,10H,5,9H2,1H3,(H,11,12).
What are the key properties of N-(2-aminopropyl)-1H-pyrrole-2-carboxamide?
N-(2-aminopropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 63732088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).