3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide

C9H7ClN4O2 — CID 106399917

IUPAC3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1ncon1)c1ccncc1Cl
InChIInChI=1S/C9H7ClN4O2/c10-7-3-11-2-1-6(7)9(15)12-4-8-13-5-16-14-8/h1-3,5H,4H2,(H,12,15)
InChIKeyLDXBTHKXKGGNQL-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.05
Rot. Bonds3

About 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide

3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 106399917) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
PubChem CID106399917
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC Name3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1ncon1)c1ccncc1Cl
InChIInChI=1S/C9H7ClN4O2/c10-7-3-11-2-1-6(7)9(15)12-4-8-13-5-16-14-8/h1-3,5H,4H2,(H,12,15)
InChIKeyLDXBTHKXKGGNQL-UHFFFAOYSA-N
XLogP1.05
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide
CID 106396006
3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-4-carboxamide
CID 103714838
3-(4-hydroxybut-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 106406611
2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 114185135
3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 115667770
2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 114183968
3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
CID 66482803
N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide
CID 106410065
3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66462440
5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide
CID 106399959
2,5-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 114183970
5-amino-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide
CID 106391380

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide (CID 106399917) is 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide is O=C(NCc1ncon1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is LDXBTHKXKGGNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c10-7-3-11-2-1-6(7)9(15)12-4-8-13-5-16-14-8/h1-3,5H,4H2,(H,12,15).
What are the key properties of 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide?
3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 238.63 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 106399917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).