4-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-2-carboxamide

C16H18ClN3O3 — CID 167797791

IUPAC4-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NCc2ccc(OC)c(OC)c2Cl)ccn1
InChIInChI=1S/C16H18ClN3O3/c1-18-16(21)12-8-11(6-7-19-12)20-9-10-4-5-13(22-2)15(23-3)14(10)17/h4-8H,9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyLBLQJQYLRFAMMD-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.72
Rot. Bonds6

About 4-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-2-carboxamide

4-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-2-carboxamide (PubChem CID 167797791) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 4-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-2-carboxamide
PubChem CID167797791
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name4-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NCc2ccc(OC)c(OC)c2Cl)ccn1
InChIInChI=1S/C16H18ClN3O3/c1-18-16(21)12-8-11(6-7-19-12)20-9-10-4-5-13(22-2)15(23-3)14(10)17/h4-8H,9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyLBLQJQYLRFAMMD-UHFFFAOYSA-N
XLogP2.72
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-hydroxyphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 114332705
4-[(2-ethylphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 64695920
4-[(4-chlorophenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 43395704
N-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212111
3-[3-[(2-chloro-3,4-dimethoxyphenyl)methylamino]phenyl]propanoic acid
CID 122044178
N-(4-fluorophenyl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212097
N-(3,5-dimethylphenyl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212083
N-methyl-4-[(5-methylpyrazin-2-yl)methylamino]pyridine-2-carboxamide
CID 62845761
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylpyridine-2-carboxamide
CID 106048173
1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine
CID 63626727
4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 60874908
4-(ethylamino)-N-(4-methoxy-3-methylphenyl)pyridine-2-carboxamide
CID 62181190

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-2-carboxamide (CID 167797791) is 4-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(NCc2ccc(OC)c(OC)c2Cl)ccn1.
What is the InChIKey of 4-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-2-carboxamide?
The InChIKey is LBLQJQYLRFAMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-18-16(21)12-8-11(6-7-19-12)20-9-10-4-5-13(22-2)15(23-3)14(10)17/h4-8H,9H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 4-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-2-carboxamide?
4-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-2-carboxamide has a molecular weight of 335.79 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 167797791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).