2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide

C15H17N3O2 — CID 53334708

IUPAC2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cccnc2N)cc1
InChIInChI=1S/C15H17N3O2/c1-2-20-12-7-5-11(6-8-12)10-18-15(19)13-4-3-9-17-14(13)16/h3-9H,2,10H2,1H3,(H2,16,17)(H,18,19)
InChIKeyHUAHAOBWFVOHEN-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.99
Rot. Bonds5

About 2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide

2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 53334708) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID53334708
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cccnc2N)cc1
InChIInChI=1S/C15H17N3O2/c1-2-20-12-7-5-11(6-8-12)10-18-15(19)13-4-3-9-17-14(13)16/h3-9H,2,10H2,1H3,(H2,16,17)(H,18,19)
InChIKeyHUAHAOBWFVOHEN-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66844013
2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide
CID 174625318
2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104232
2-amino-N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104243
2-amino-N-[[4-(3-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843847
2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843653
2-amino-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334706
2-amino-N-[[4-(3-propan-2-ylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104254
2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843271
2-amino-N-[[4-[(2-ethyl-3H-thiophen-2-yl)oxy]phenyl]methyl]pyridine-3-carboxamide
CID 66844037
2-amino-N-[[4-(3-chloro-4-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104553
4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 119247313

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide (CID 53334708) is 2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide is CCOc1ccc(CNC(=O)c2cccnc2N)cc1.
What is the InChIKey of 2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is HUAHAOBWFVOHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-20-12-7-5-11(6-8-12)10-18-15(19)13-4-3-9-17-14(13)16/h3-9H,2,10H2,1H3,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide?
2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 53334708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).