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

C15H17N3O2 — CID 63724046

IUPAC5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(CN)cn2)c1
InChIInChI=1S/C15H17N3O2/c1-20-13-4-2-3-11(7-13)9-18-15(19)14-6-5-12(8-16)10-17-14/h2-7,10H,8-9,16H2,1H3,(H,18,19)
InChIKeyUVNCSBFTISSADK-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.48
Rot. Bonds5

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

5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 63724046) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID63724046
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(CN)cn2)c1
InChIInChI=1S/C15H17N3O2/c1-20-13-4-2-3-11(7-13)9-18-15(19)14-6-5-12(8-16)10-17-14/h2-7,10H,8-9,16H2,1H3,(H,18,19)
InChIKeyUVNCSBFTISSADK-UHFFFAOYSA-N
XLogP1.48
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954224
5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 63717646
5-(aminomethyl)-N-benzylpyridine-2-carboxamide
CID 55230776
5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 63722518
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377643
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665
5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191536
5-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide
CID 63722358
N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51153757
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 81320128
4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 81242597
5-bromo-2-hydrazinyl-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 62237338

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide (CID 63724046) is 5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide is COc1cccc(CNC(=O)c2ccc(CN)cn2)c1.
What is the InChIKey of 5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is UVNCSBFTISSADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-13-4-2-3-11(7-13)9-18-15(19)14-6-5-12(8-16)10-17-14/h2-7,10H,8-9,16H2,1H3,(H,18,19).
What are the key properties of 5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide?
5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 63724046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).