2-chloro-N-[2-(methoxymethyl)phenyl]-6-(methylamino)pyridine-4-carboxamide

C15H16ClN3O2 — CID 62178501

IUPAC2-chloro-N-[2-(methoxymethyl)phenyl]-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2ccccc2COC)cc(Cl)n1
InChIInChI=1S/C15H16ClN3O2/c1-17-14-8-11(7-13(16)19-14)15(20)18-12-6-4-3-5-10(12)9-21-2/h3-8H,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyOKOZOZFUTCVTBY-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.18
Rot. Bonds5

About 2-chloro-N-[2-(methoxymethyl)phenyl]-6-(methylamino)pyridine-4-carboxamide

2-chloro-N-[2-(methoxymethyl)phenyl]-6-(methylamino)pyridine-4-carboxamide (PubChem CID 62178501) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-chloro-N-[2-(methoxymethyl)phenyl]-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(methoxymethyl)phenyl]-6-(methylamino)pyridine-4-carboxamide
PubChem CID62178501
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name2-chloro-N-[2-(methoxymethyl)phenyl]-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2ccccc2COC)cc(Cl)n1
InChIInChI=1S/C15H16ClN3O2/c1-17-14-8-11(7-13(16)19-14)15(20)18-12-6-4-3-5-10(12)9-21-2/h3-8H,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyOKOZOZFUTCVTBY-UHFFFAOYSA-N
XLogP3.18
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-methoxyphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62185758
2,6-dichloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 26208762
2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide
CID 55042308
2-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62166263
N-(4-bromo-2-ethylphenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 80999398
2-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62166988
N-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 61273892
2-chloro-N-(2-ethylphenyl)-6-methylpyridine-4-carboxamide
CID 113378289
N-[2-(methoxymethyl)phenyl]-5-(methylamino)pyridine-2-carboxamide
CID 104640992
4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide
CID 43701008
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 102851092

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(methoxymethyl)phenyl]-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-(methoxymethyl)phenyl]-6-(methylamino)pyridine-4-carboxamide (CID 62178501) is 2-chloro-N-[2-(methoxymethyl)phenyl]-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(methoxymethyl)phenyl]-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(methoxymethyl)phenyl]-6-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)Nc2ccccc2COC)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[2-(methoxymethyl)phenyl]-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is OKOZOZFUTCVTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-17-14-8-11(7-13(16)19-14)15(20)18-12-6-4-3-5-10(12)9-21-2/h3-8H,9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-chloro-N-[2-(methoxymethyl)phenyl]-6-(methylamino)pyridine-4-carboxamide?
2-chloro-N-[2-(methoxymethyl)phenyl]-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(methoxymethyl)phenyl]-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62178501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).