2-chloro-N-methoxy-N-methylpyridine-3-carboxamide

C8H9ClN2O2 — CID 10236076

IUPAC2-chloro-N-methoxy-N-methylpyridine-3-carboxamide
SMILESCON(C)C(=O)c1cccnc1Cl
InChIInChI=1S/C8H9ClN2O2/c1-11(13-2)8(12)6-4-3-5-10-7(6)9/h3-5H,1-2H3
InChIKeyKGZJITSOJPZKSG-UHFFFAOYSA-N
MW200.63 g/mol
LogP1.37
Rot. Bonds2

About 2-chloro-N-methoxy-N-methylpyridine-3-carboxamide

2-chloro-N-methoxy-N-methylpyridine-3-carboxamide (PubChem CID 10236076) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is 2-chloro-N-methoxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methoxy-N-methylpyridine-3-carboxamide
PubChem CID10236076
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Name2-chloro-N-methoxy-N-methylpyridine-3-carboxamide
SMILESCON(C)C(=O)c1cccnc1Cl
InChIInChI=1S/C8H9ClN2O2/c1-11(13-2)8(12)6-4-3-5-10-7(6)9/h3-5H,1-2H3
InChIKeyKGZJITSOJPZKSG-UHFFFAOYSA-N
XLogP1.37
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide
CID 106934859
2-chloro-N-methoxy-N,6-dimethylpyridine-3-carboxamide
CID 53416990
N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide
CID 43374214
2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631218
methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate
CID 61051558
2-chloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 61053761
2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide
CID 43409219
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79389751
N-methoxy-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide
CID 75487227
cyclohexane;methyl 2-chloropyridine-3-carboxylate
CID 175229380
2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 61051517
2-chloro-N-(methoxymethyl)pyridine-3-carboxamide
CID 71433413

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-methoxy-N-methylpyridine-3-carboxamide (CID 10236076) is 2-chloro-N-methoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-methoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-methoxy-N-methylpyridine-3-carboxamide is CON(C)C(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-methoxy-N-methylpyridine-3-carboxamide?
The InChIKey is KGZJITSOJPZKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-11(13-2)8(12)6-4-3-5-10-7(6)9/h3-5H,1-2H3.
What are the key properties of 2-chloro-N-methoxy-N-methylpyridine-3-carboxamide?
2-chloro-N-methoxy-N-methylpyridine-3-carboxamide has a molecular weight of 200.63 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 10236076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).