6-amino-5-chloro-N-[(2S,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide

C17H18ClFN4O — CID 97242983

IUPAC6-amino-5-chloro-N-[(2S,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCN1CC[C@@H](NC(=O)c2cnc(N)c(Cl)c2)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H18ClFN4O/c1-23-7-6-14(15(23)10-2-4-12(19)5-3-10)22-17(24)11-8-13(18)16(20)21-9-11/h2-5,8-9,14-15H,6-7H2,1H3,(H2,20,21)(H,22,24)/t14-,15+/m1/s1
InChIKeyCZUPFHSVUWHLMB-CABCVRRESA-N
MW348.81 g/mol
LogP2.63
Rot. Bonds3

About 6-amino-5-chloro-N-[(2S,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide

6-amino-5-chloro-N-[(2S,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 97242983) has the molecular formula C17H18ClFN4O and a molecular weight of 348.81 g/mol. Its IUPAC name is 6-amino-5-chloro-N-[(2S,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-[(2S,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID97242983
Molecular FormulaC17H18ClFN4O
Molecular Weight348.81 g/mol
Exact Mass348.12
IUPAC Name6-amino-5-chloro-N-[(2S,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCN1CC[C@@H](NC(=O)c2cnc(N)c(Cl)c2)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H18ClFN4O/c1-23-7-6-14(15(23)10-2-4-12(19)5-3-10)22-17(24)11-8-13(18)16(20)21-9-11/h2-5,8-9,14-15H,6-7H2,1H3,(H2,20,21)(H,22,24)/t14-,15+/m1/s1
InChIKeyCZUPFHSVUWHLMB-CABCVRRESA-N
XLogP2.63
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-amino-5-chloro-N-[(2S,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(2R,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide
CID 129378798
N-[(2R,3S)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide
CID 124777214
6-amino-5-chloro-N-(2,4-dimethylcyclohexyl)pyridine-3-carboxamide
CID 63999211
N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-3-carboxamide
CID 124778682
N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-3-carboxamide
CID 97242613
6-amino-5-chloro-N-cyclooctylpyridine-3-carboxamide
CID 62152170
6-amino-5-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide
CID 80602684
6-amino-5-chloro-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62155376
6-amino-5-chloro-N-(4-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 62156604
5-[[(2S,3R)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
CID 167847736
6-amino-5-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide
CID 115563972
N-[(2S,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 99850796

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-[(2S,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-N-[(2S,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide (CID 97242983) is 6-amino-5-chloro-N-[(2S,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-N-[(2S,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-N-[(2S,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide is CN1CC[C@@H](NC(=O)c2cnc(N)c(Cl)c2)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of 6-amino-5-chloro-N-[(2S,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is CZUPFHSVUWHLMB-CABCVRRESA-N. The full InChI is InChI=1S/C17H18ClFN4O/c1-23-7-6-14(15(23)10-2-4-12(19)5-3-10)22-17(24)11-8-13(18)16(20)21-9-11/h2-5,8-9,14-15H,6-7H2,1H3,(H2,20,21)(H,22,24)/t14-,15+/m1/s1.
What are the key properties of 6-amino-5-chloro-N-[(2S,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide?
6-amino-5-chloro-N-[(2S,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 348.81 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-[(2S,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 97242983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).