4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide

C12H16ClN3O — CID 79688095

IUPAC4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
SMILESO=C(N[C@H]1CCNC1)c1cc(Cl)cn1C1CC1
InChIInChI=1S/C12H16ClN3O/c13-8-5-11(16(7-8)10-1-2-10)12(17)15-9-3-4-14-6-9/h5,7,9-10,14H,1-4,6H2,(H,15,17)/t9-/m0/s1
InChIKeyNDQXLDTYAUJEGB-VIFPVBQESA-N
MW253.73 g/mol
LogP1.57
Rot. Bonds3

About 4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide

4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide (PubChem CID 79688095) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
PubChem CID79688095
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
SMILESO=C(N[C@H]1CCNC1)c1cc(Cl)cn1C1CC1
InChIInChI=1S/C12H16ClN3O/c13-8-5-11(16(7-8)10-1-2-10)12(17)15-9-3-4-14-6-9/h5,7,9-10,14H,1-4,6H2,(H,15,17)/t9-/m0/s1
InChIKeyNDQXLDTYAUJEGB-VIFPVBQESA-N
XLogP1.57
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
CID 79688807
4-chloro-1-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 62379148
N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 66187704
4-chloro-1-cyclopropyl-N-[3-(cyclopropylamino)propyl]pyrrole-2-carboxamide
CID 43640351
4-chloro-1-cyclopropyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2-carboxamide
CID 61175104
(4-chloro-1-cyclopropylpyrrol-2-yl)-piperazin-1-ylmethanone
CID 43640269
4-chloro-1-cyclopropyl-N-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 63299114
4-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]butanoic acid
CID 43640281
N-(azetidin-3-yl)-1-cyclopropyl-4-nitropyrrole-2-carboxamide
CID 66185142
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
N-(azetidin-3-yl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 66188247

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide (CID 79688095) is 4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide is O=C(N[C@H]1CCNC1)c1cc(Cl)cn1C1CC1.
What is the InChIKey of 4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide?
The InChIKey is NDQXLDTYAUJEGB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-8-5-11(16(7-8)10-1-2-10)12(17)15-9-3-4-14-6-9/h5,7,9-10,14H,1-4,6H2,(H,15,17)/t9-/m0/s1.
What are the key properties of 4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide?
4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 79688095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).