N-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide

C9H15N3O — CID 81483032

IUPACN-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)(N)CNC(=O)c1ccc[nH]1
InChIInChI=1S/C9H15N3O/c1-9(2,10)6-12-8(13)7-4-3-5-11-7/h3-5,11H,6,10H2,1-2H3,(H,12,13)
InChIKeyQUPWJNQALQTMKB-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.48
Rot. Bonds3

About N-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide

N-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide (PubChem CID 81483032) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide
PubChem CID81483032
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)(N)CNC(=O)c1ccc[nH]1
InChIInChI=1S/C9H15N3O/c1-9(2,10)6-12-8(13)7-4-3-5-11-7/h3-5,11H,6,10H2,1-2H3,(H,12,13)
InChIKeyQUPWJNQALQTMKB-UHFFFAOYSA-N
XLogP0.48
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminopropyl)-1H-pyrrole-2-carboxamide
CID 63732088
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
CID 75508221
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
N-(2,3-dihydroxypropyl)-1H-pyrrole-2-carboxamide
CID 66177691
N-(3-hydroxypentyl)-1H-pyrrole-2-carboxamide
CID 115703464
2-[[2-[[2-(1H-pyrrole-2-carbonylamino)acetyl]amino]acetyl]amino]acetic acid
CID 10564810
N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 18712343
N-(1-hydroxy-3-methylpentan-3-yl)-1H-pyrrole-2-carboxamide
CID 75498993
N-(2-thiophen-3-ylethyl)-1H-pyrrole-2-carboxamide
CID 110475807
2-methyl-2-(1H-pyrrole-2-carbonylamino)pentanoic acid
CID 43618481

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide (CID 81483032) is N-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide is CC(C)(N)CNC(=O)c1ccc[nH]1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is QUPWJNQALQTMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,10)6-12-8(13)7-4-3-5-11-7/h3-5,11H,6,10H2,1-2H3,(H,12,13).
What are the key properties of N-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide?
N-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 81483032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).