2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitropyridine-4-carboxamide

C10H8ClN5O4 — CID 103733138

IUPAC2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitropyridine-4-carboxamide
SMILESCc1noc(CNC(=O)c2cc(Cl)ncc2[N+](=O)[O-])n1
InChIInChI=1S/C10H8ClN5O4/c1-5-14-9(20-15-5)4-13-10(17)6-2-8(11)12-3-7(6)16(18)19/h2-3H,4H2,1H3,(H,13,17)
InChIKeyXYASEBVVWWREAC-UHFFFAOYSA-N
MW297.66 g/mol
LogP1.26
Rot. Bonds4

About 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitropyridine-4-carboxamide

2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitropyridine-4-carboxamide (PubChem CID 103733138) has the molecular formula C10H8ClN5O4 and a molecular weight of 297.66 g/mol. Its IUPAC name is 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitropyridine-4-carboxamide
PubChem CID103733138
Molecular FormulaC10H8ClN5O4
Molecular Weight297.66 g/mol
Exact Mass297.03
IUPAC Name2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitropyridine-4-carboxamide
SMILESCc1noc(CNC(=O)c2cc(Cl)ncc2[N+](=O)[O-])n1
InChIInChI=1S/C10H8ClN5O4/c1-5-14-9(20-15-5)4-13-10(17)6-2-8(11)12-3-7(6)16(18)19/h2-3H,4H2,1H3,(H,13,17)
InChIKeyXYASEBVVWWREAC-UHFFFAOYSA-N
XLogP1.26
TPSA124.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.66
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-nitrobenzamide
CID 61053482
2-chloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide
CID 104583556
2-chloro-N-[(4-chlorophenyl)methyl]-5-nitropyridine-4-carboxamide
CID 103730707
2-chloro-N-(2,2-dimethylpropyl)-5-nitropyridine-4-carboxamide
CID 113250953
2-chloro-N-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide
CID 103885996
N-butyl-2-chloro-5-nitropyridine-4-carboxamide
CID 103730741
2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitrobenzamide
CID 56801772
2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-5-nitropyridine-4-carboxamide
CID 103734127
1-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]isoquinoline-4-carboxamide
CID 106766043
2-chloro-N-(2-ethoxypropyl)-5-nitropyridine-4-carboxamide
CID 113251137
3-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-nitrobenzamide
CID 115549495
2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-nitropyridine-4-carboxamide
CID 114089801

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitropyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitropyridine-4-carboxamide (CID 103733138) is 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitropyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitropyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitropyridine-4-carboxamide is Cc1noc(CNC(=O)c2cc(Cl)ncc2[N+](=O)[O-])n1.
What is the InChIKey of 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitropyridine-4-carboxamide?
The InChIKey is XYASEBVVWWREAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O4/c1-5-14-9(20-15-5)4-13-10(17)6-2-8(11)12-3-7(6)16(18)19/h2-3H,4H2,1H3,(H,13,17).
What are the key properties of 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitropyridine-4-carboxamide?
2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitropyridine-4-carboxamide has a molecular weight of 297.66 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitropyridine-4-carboxamide is sourced from PubChem (CID 103733138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).