2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide

C14H14ClN3O — CID 113378416

IUPAC2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(C)n2)cc(Cl)n1
InChIInChI=1S/C14H14ClN3O/c1-9-4-3-5-12(17-9)8-16-14(19)11-6-10(2)18-13(15)7-11/h3-7H,8H2,1-2H3,(H,16,19)
InChIKeyLNGJLDTWGOKTKU-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.68
Rot. Bonds3

About 2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide

2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide (PubChem CID 113378416) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
PubChem CID113378416
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(C)n2)cc(Cl)n1
InChIInChI=1S/C14H14ClN3O/c1-9-4-3-5-12(17-9)8-16-14(19)11-6-10(2)18-13(15)7-11/h3-7H,8H2,1-2H3,(H,16,19)
InChIKeyLNGJLDTWGOKTKU-UHFFFAOYSA-N
XLogP2.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 55057389
2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378285
2-chloro-N-[(2-chlorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378301
2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)pyridine-4-carboxamide
CID 114110725
3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103841720
4-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62307538
2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
CID 89150895
3-hydroxy-4-iodo-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 104627777
2,6-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 61053110
2,5-dihydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103892127
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041318
2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
CID 62306859

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide (CID 113378416) is 2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide is Cc1cc(C(=O)NCc2cccc(C)n2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide?
The InChIKey is LNGJLDTWGOKTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-9-4-3-5-12(17-9)8-16-14(19)11-6-10(2)18-13(15)7-11/h3-7H,8H2,1-2H3,(H,16,19).
What are the key properties of 2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide?
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 113378416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).