2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide

C15H17N3O2 — CID 114325480

IUPAC2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(CN)c2)cc1
InChIInChI=1S/C15H17N3O2/c1-2-20-14-5-3-12(4-6-14)18-15(19)11-7-8-17-13(9-11)10-16/h3-9H,2,10,16H2,1H3,(H,18,19)
InChIKeyWKEFLCUVZHJNIL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.19
Rot. Bonds5

About 2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide (PubChem CID 114325480) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
PubChem CID114325480
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(CN)c2)cc1
InChIInChI=1S/C15H17N3O2/c1-2-20-14-5-3-12(4-6-14)18-15(19)11-7-8-17-13(9-11)10-16/h3-9H,2,10,16H2,1H3,(H,18,19)
InChIKeyWKEFLCUVZHJNIL-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(4-carbamoylphenyl)pyridine-4-carboxamide
CID 114325508
2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide
CID 114325497
2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide
CID 114325764
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171760
2-(dipropylamino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109175918
4-N-(4-ethoxyphenyl)-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109088955
2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide
CID 114325839
2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid
CID 114326175
2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 114326705
2-(aminomethyl)-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 114325849
2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078141
ethyl N-[[4-[(4-bromophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520988

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide (CID 114325480) is 2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide is CCOc1ccc(NC(=O)c2ccnc(CN)c2)cc1.
What is the InChIKey of 2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide?
The InChIKey is WKEFLCUVZHJNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-20-14-5-3-12(4-6-14)18-15(19)11-7-8-17-13(9-11)10-16/h3-9H,2,10,16H2,1H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 114325480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).