N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-methylpyrrole-1-carboxamide

C12H17N3O — CID 21083440

IUPACN-(2-azabicyclo[2.2.1]heptan-5-yl)-3-methylpyrrole-1-carboxamide
SMILESCc1ccn(C(=O)NC2CC3CC2CN3)c1
InChIInChI=1S/C12H17N3O/c1-8-2-3-15(7-8)12(16)14-11-5-10-4-9(11)6-13-10/h2-3,7,9-11,13H,4-6H2,1H3,(H,14,16)
InChIKeyFCLGHFWUGFUBAA-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.10
Rot. Bonds1

About N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-methylpyrrole-1-carboxamide

N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-methylpyrrole-1-carboxamide (PubChem CID 21083440) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-methylpyrrole-1-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-3-methylpyrrole-1-carboxamide
PubChem CID21083440
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-3-methylpyrrole-1-carboxamide
SMILESCc1ccn(C(=O)NC2CC3CC2CN3)c1
InChIInChI=1S/C12H17N3O/c1-8-2-3-15(7-8)12(16)14-11-5-10-4-9(11)6-13-10/h2-3,7,9-11,13H,4-6H2,1H3,(H,14,16)
InChIKeyFCLGHFWUGFUBAA-UHFFFAOYSA-N
XLogP1.10
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid
CID 77430826
N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-methylsulfanylpyrazole-1-carboxamide
CID 21083457
N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 93499229
4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-5-yl)benzamide
CID 22573485
tert-butyl N-[(1S,4S,5R)-2-azabicyclo[2.2.1]heptan-5-yl]carbamate
CID 154725996
N-[(1S,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide
CID 98077637
N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-bromoindolizine-7-carboxamide
CID 22565606
N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide
CID 93499231
N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(2-methylphenyl)thiophene-2-carboxamide
CID 22350598
N-(2-azabicyclo[2.2.1]heptan-5-yl)-2-cyanoimidazo[1,2-a]pyridine-6-carboxamide
CID 22566051
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-bromopyrrole-1-carboxamide
CID 90708250
N-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxamide
CID 93499254

Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-methylpyrrole-1-carboxamide?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-methylpyrrole-1-carboxamide (CID 21083440) is N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-methylpyrrole-1-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-methylpyrrole-1-carboxamide?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-methylpyrrole-1-carboxamide is Cc1ccn(C(=O)NC2CC3CC2CN3)c1.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-methylpyrrole-1-carboxamide?
The InChIKey is FCLGHFWUGFUBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-2-3-15(7-8)12(16)14-11-5-10-4-9(11)6-13-10/h2-3,7,9-11,13H,4-6H2,1H3,(H,14,16).
What are the key properties of N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-methylpyrrole-1-carboxamide?
N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-methylpyrrole-1-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-methylpyrrole-1-carboxamide is sourced from PubChem (CID 21083440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).