3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide

C15H17N3O2 — CID 104740841

IUPAC3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ncccc2N)cc1
InChIInChI=1S/C15H17N3O2/c1-20-12-6-4-11(5-7-12)8-10-18-15(19)14-13(16)3-2-9-17-14/h2-7,9H,8,10,16H2,1H3,(H,18,19)
InChIKeyQZGCCDBERCYVCG-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.64
Rot. Bonds5

About 3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide

3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 104740841) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
PubChem CID104740841
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ncccc2N)cc1
InChIInChI=1S/C15H17N3O2/c1-20-12-6-4-11(5-7-12)8-10-18-15(19)14-13(16)3-2-9-17-14/h2-7,9H,8,10,16H2,1H3,(H,18,19)
InChIKeyQZGCCDBERCYVCG-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 104742127
6-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 62072605
2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide
CID 108901974
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
6-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 27548743
3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 104741450
6-hydrazinyl-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 62237050
6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
CID 109095851
N-[2-(4-aminophenyl)ethyl]-3-propan-2-yloxypyridine-2-carboxamide
CID 119548878

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide (CID 104740841) is 3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide is COc1ccc(CCNC(=O)c2ncccc2N)cc1.
What is the InChIKey of 3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is QZGCCDBERCYVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-12-6-4-11(5-7-12)8-10-18-15(19)14-13(16)3-2-9-17-14/h2-7,9H,8,10,16H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 104740841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).