N-[(2R,3S)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide

C17H18ClN3O — CID 124777214

IUPACN-[(2R,3S)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCN1CC[C@H](NC(=O)c2ccncc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O/c1-21-11-8-15(16(21)12-2-4-14(18)5-3-12)20-17(22)13-6-9-19-10-7-13/h2-7,9-10,15-16H,8,11H2,1H3,(H,20,22)/t15-,16+/m0/s1
InChIKeySVSLINGADLMBPZ-JKSUJKDBSA-N
MW315.80 g/mol
LogP2.91
Rot. Bonds3

About N-[(2R,3S)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide

N-[(2R,3S)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide (PubChem CID 124777214) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is N-[(2R,3S)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide
PubChem CID124777214
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC NameN-[(2R,3S)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCN1CC[C@H](NC(=O)c2ccncc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O/c1-21-11-8-15(16(21)12-2-4-14(18)5-3-12)20-17(22)13-6-9-19-10-7-13/h2-7,9-10,15-16H,8,11H2,1H3,(H,20,22)/t15-,16+/m0/s1
InChIKeySVSLINGADLMBPZ-JKSUJKDBSA-N
XLogP2.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(2R,3S)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide (CID 124777214) is N-[(2R,3S)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2R,3S)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide is CN1CC[C@H](NC(=O)c2ccncc2)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of N-[(2R,3S)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide?
The InChIKey is SVSLINGADLMBPZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-21-11-8-15(16(21)12-2-4-14(18)5-3-12)20-17(22)13-6-9-19-10-7-13/h2-7,9-10,15-16H,8,11H2,1H3,(H,20,22)/t15-,16+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide?
N-[(2R,3S)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide has a molecular weight of 315.80 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 124777214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).