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

C18H14ClN5O2 — CID 167939618

IUPACN-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cncc2[nH]ccc12)c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H14ClN5O2/c1-10(16-23-18(26-24-16)11-2-4-12(19)5-3-11)22-17(25)14-8-20-9-15-13(14)6-7-21-15/h2-10,21H,1H3,(H,22,25)
InChIKeyCRUDWYAZOPZBKA-UHFFFAOYSA-N
MW367.80 g/mol
LogP3.76
Rot. Bonds4

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

N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 167939618) has the molecular formula C18H14ClN5O2 and a molecular weight of 367.80 g/mol. Its IUPAC name is N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID167939618
Molecular FormulaC18H14ClN5O2
Molecular Weight367.80 g/mol
Exact Mass367.08
IUPAC NameN-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cncc2[nH]ccc12)c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H14ClN5O2/c1-10(16-23-18(26-24-16)11-2-4-12(19)5-3-11)22-17(25)14-8-20-9-15-13(14)6-7-21-15/h2-10,21H,1H3,(H,22,25)
InChIKeyCRUDWYAZOPZBKA-UHFFFAOYSA-N
XLogP3.76
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide
CID 96559354
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
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 167826549
N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 71860913
2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]-N,N-dimethylpropanamide
CID 75521519
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
N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 166251105

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 167939618) is N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CC(NC(=O)c1cncc2[nH]ccc12)c1noc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is CRUDWYAZOPZBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2/c1-10(16-23-18(26-24-16)11-2-4-12(19)5-3-11)22-17(25)14-8-20-9-15-13(14)6-7-21-15/h2-10,21H,1H3,(H,22,25).
What are the key properties of N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 367.80 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 167939618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).