N-(azetidin-3-yl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide

C12H16ClN3O — CID 66188247

IUPACN-(azetidin-3-yl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide
SMILESCN(C(=O)c1cc(Cl)cn1C1CC1)C1CNC1
InChIInChI=1S/C12H16ClN3O/c1-15(10-5-14-6-10)12(17)11-4-8(13)7-16(11)9-2-3-9/h4,7,9-10,14H,2-3,5-6H2,1H3
InChIKeyGDXIUZDMCYDFOP-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.52
Rot. Bonds3

About N-(azetidin-3-yl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide

N-(azetidin-3-yl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide (PubChem CID 66188247) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(azetidin-3-yl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide
PubChem CID66188247
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC NameN-(azetidin-3-yl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide
SMILESCN(C(=O)c1cc(Cl)cn1C1CC1)C1CNC1
InChIInChI=1S/C12H16ClN3O/c1-15(10-5-14-6-10)12(17)11-4-8(13)7-16(11)9-2-3-9/h4,7,9-10,14H,2-3,5-6H2,1H3
InChIKeyGDXIUZDMCYDFOP-UHFFFAOYSA-N
XLogP1.52
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-cyclopropyl-N-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 63299114
N-(3-aminopropyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 115318911
N-(2-amino-1-cyclopropylethyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 116651942
4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
CID 79688095
N-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide
CID 66186140
(4-chloro-1-cyclopropylpyrrol-2-yl)-piperazin-1-ylmethanone
CID 43640269
4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 60955272
4-amino-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 61118290
4-amino-1-cyclopropyl-N-methyl-N-(oxolan-3-yl)pyrrole-2-carboxamide
CID 82740887
4-chloro-1-cyclopropyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyrrole-2-carboxamide
CID 106143139
(4-chloro-1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64979326
4-chloro-1-ethyl-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpyrrole-2-carboxamide
CID 43639498

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide (CID 66188247) is N-(azetidin-3-yl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide is CN(C(=O)c1cc(Cl)cn1C1CC1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
The InChIKey is GDXIUZDMCYDFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-15(10-5-14-6-10)12(17)11-4-8(13)7-16(11)9-2-3-9/h4,7,9-10,14H,2-3,5-6H2,1H3.
What are the key properties of N-(azetidin-3-yl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
N-(azetidin-3-yl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 66188247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).