5-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpyridine-3-carboxamide

C16H19N3O2 — CID 61112841

IUPAC5-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(N)cnc1C
InChIInChI=1S/C16H19N3O2/c1-11-14(8-13(17)9-18-11)16(20)19(2)10-12-6-4-5-7-15(12)21-3/h4-9H,10,17H2,1-3H3
InChIKeyUQQOIXCTWXYEFL-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.25
Rot. Bonds4

About 5-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpyridine-3-carboxamide

5-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpyridine-3-carboxamide (PubChem CID 61112841) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
PubChem CID61112841
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(N)cnc1C
InChIInChI=1S/C16H19N3O2/c1-11-14(8-13(17)9-18-11)16(20)19(2)10-12-6-4-5-7-15(12)21-3/h4-9H,10,17H2,1-3H3
InChIKeyUQQOIXCTWXYEFL-UHFFFAOYSA-N
XLogP2.25
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 61117952
5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 61111701
2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62160081
2-amino-5-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 107074383
3-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61112078
3-amino-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523848
2-amino-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 105385482
5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 54916915
3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 61027377
6-amino-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62239842
4-amino-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63102134
N-[(2-methoxyphenyl)methyl]-N-methyl-4-phenylpyrimidine-5-carboxamide
CID 122134623

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpyridine-3-carboxamide (CID 61112841) is 5-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpyridine-3-carboxamide is COc1ccccc1CN(C)C(=O)c1cc(N)cnc1C.
What is the InChIKey of 5-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpyridine-3-carboxamide?
The InChIKey is UQQOIXCTWXYEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-14(8-13(17)9-18-11)16(20)19(2)10-12-6-4-5-7-15(12)21-3/h4-9H,10,17H2,1-3H3.
What are the key properties of 5-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpyridine-3-carboxamide?
5-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpyridine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 61112841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).