N-[(3S,5S)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide

C19H18ClN5O2 — CID 25338410

IUPACN-[(3S,5S)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCN1C[C@@H](NC(=O)c2ccccn2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C19H18ClN5O2/c1-25-11-14(22-18(26)15-4-2-3-9-21-15)10-16(25)19-23-17(24-27-19)12-5-7-13(20)8-6-12/h2-9,14,16H,10-11H2,1H3,(H,22,26)/t14-,16-/m0/s1
InChIKeyWGAFTZYPBYVWBZ-HOCLYGCPSA-N
MW383.84 g/mol
LogP2.96
Rot. Bonds4

About N-[(3S,5S)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide

N-[(3S,5S)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide (PubChem CID 25338410) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-[(3S,5S)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
PubChem CID25338410
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC NameN-[(3S,5S)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCN1C[C@@H](NC(=O)c2ccccn2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C19H18ClN5O2/c1-25-11-14(22-18(26)15-4-2-3-9-21-15)10-16(25)19-23-17(24-27-19)12-5-7-13(20)8-6-12/h2-9,14,16H,10-11H2,1H3,(H,22,26)/t14-,16-/m0/s1
InChIKeyWGAFTZYPBYVWBZ-HOCLYGCPSA-N
XLogP2.96
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(3S,5S)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide (CID 25338410) is N-[(3S,5S)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide is CN1C[C@@H](NC(=O)c2ccccn2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[(3S,5S)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide?
The InChIKey is WGAFTZYPBYVWBZ-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c1-25-11-14(22-18(26)15-4-2-3-9-21-15)10-16(25)19-23-17(24-27-19)12-5-7-13(20)8-6-12/h2-9,14,16H,10-11H2,1H3,(H,22,26)/t14-,16-/m0/s1.
What are the key properties of N-[(3S,5S)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide?
N-[(3S,5S)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 25338410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).