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

C10H14ClN3O — CID 79688807

IUPAC4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)N[C@H]1CCNC1
InChIInChI=1S/C10H14ClN3O/c1-14-6-7(11)4-9(14)10(15)13-8-2-3-12-5-8/h4,6,8,12H,2-3,5H2,1H3,(H,13,15)/t8-/m0/s1
InChIKeyLQIIWFSPHHJQDG-QMMMGPOBSA-N
MW227.69 g/mol
LogP0.77
Rot. Bonds2

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

4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide (PubChem CID 79688807) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
PubChem CID79688807
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)N[C@H]1CCNC1
InChIInChI=1S/C10H14ClN3O/c1-14-6-7(11)4-9(14)10(15)13-8-2-3-12-5-8/h4,6,8,12H,2-3,5H2,1H3,(H,13,15)/t8-/m0/s1
InChIKeyLQIIWFSPHHJQDG-QMMMGPOBSA-N
XLogP0.77
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 62379331
4-chloro-1-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 62379148
4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
CID 79688095
N-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 79113868
4-acetyl-1-methyl-N-piperidin-4-ylpyrrole-2-carboxamide
CID 119387080
1-methyl-4-piperidin-1-ylsulfonyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 119450319
4-chloro-N-[2-(cyclopropylamino)ethyl]-1-methylpyrrole-2-carboxamide
CID 62665276
N-(azetidin-3-yl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
CID 66188396
4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 63299472
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide (CID 79688807) is 4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide is Cn1cc(Cl)cc1C(=O)N[C@H]1CCNC1.
What is the InChIKey of 4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide?
The InChIKey is LQIIWFSPHHJQDG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-14-6-7(11)4-9(14)10(15)13-8-2-3-12-5-8/h4,6,8,12H,2-3,5H2,1H3,(H,13,15)/t8-/m0/s1.
What are the key properties of 4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide?
4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide has a molecular weight of 227.69 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 79688807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).