5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide

C16H19N3O2 — CID 63722518

IUPAC5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc(CN)cn2)c1
InChIInChI=1S/C16H19N3O2/c1-19(11-12-4-3-5-14(8-12)21-2)16(20)15-7-6-13(9-17)10-18-15/h3-8,10H,9,11,17H2,1-2H3
InChIKeyNNKPAUCHRJJRLJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.82
Rot. Bonds5

About 5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide

5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 63722518) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID63722518
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc(CN)cn2)c1
InChIInChI=1S/C16H19N3O2/c1-19(11-12-4-3-5-14(8-12)21-2)16(20)15-7-6-13(9-17)10-18-15/h3-8,10H,9,11,17H2,1-2H3
InChIKeyNNKPAUCHRJJRLJ-UHFFFAOYSA-N
XLogP1.82
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 63724046
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
5-(aminomethyl)-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide
CID 63722720
5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 61418056
2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114917457
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 54980615
5-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 115330502
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
4-(2-amino-2-oxoethoxy)-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 166194594
3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 61115963
2-hydrazinyl-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 62243535
5-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 63723030

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide (CID 63722518) is 5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide is COc1cccc(CN(C)C(=O)c2ccc(CN)cn2)c1.
What is the InChIKey of 5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is NNKPAUCHRJJRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19(11-12-4-3-5-14(8-12)21-2)16(20)15-7-6-13(9-17)10-18-15/h3-8,10H,9,11,17H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide?
5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 63722518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).