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

C16H13ClN4O2 — CID 96559354

IUPACN-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccncc1)c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H13ClN4O2/c1-10(19-15(22)11-6-8-18-9-7-11)14-20-16(23-21-14)12-2-4-13(17)5-3-12/h2-10H,1H3,(H,19,22)/t10-/m0/s1
InChIKeyRPEZYDGUJCCDCO-JTQLQIEISA-N
MW328.76 g/mol
LogP3.28
Rot. Bonds4

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

N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide (PubChem CID 96559354) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide
PubChem CID96559354
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC NameN-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccncc1)c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H13ClN4O2/c1-10(19-15(22)11-6-8-18-9-7-11)14-20-16(23-21-14)12-2-4-13(17)5-3-12/h2-10H,1H3,(H,19,22)/t10-/m0/s1
InChIKeyRPEZYDGUJCCDCO-JTQLQIEISA-N
XLogP3.28
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide
CID 96559361
N-[(1R)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 96559357
(2R)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide
CID 119344422
(2S)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide;hydrochloride
CID 119344413
4-bromo-N-[2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylcarbamoylamino]ethyl]benzamide
CID 167834271
N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 71860913
N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 167939618
N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119820192
(1R,5S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97089634
1-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(3-hydroxybutyl)urea
CID 111861205
1-[2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120551988
2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]-N,N-dimethylpropanamide
CID 75521519

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide (CID 96559354) is N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide is C[C@H](NC(=O)c1ccncc1)c1noc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is RPEZYDGUJCCDCO-JTQLQIEISA-N. The full InChI is InChI=1S/C16H13ClN4O2/c1-10(19-15(22)11-6-8-18-9-7-11)14-20-16(23-21-14)12-2-4-13(17)5-3-12/h2-10H,1H3,(H,19,22)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide?
N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 96559354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).