2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide

C21H21N3O2 — CID 66844013

IUPAC2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(COc2ccc(CNC(=O)c3cccnc3N)cc2)cc1
InChIInChI=1S/C21H21N3O2/c1-15-4-6-17(7-5-15)14-26-18-10-8-16(9-11-18)13-24-21(25)19-3-2-12-23-20(19)22/h2-12H,13-14H2,1H3,(H2,22,23)(H,24,25)
InChIKeyRRGFFPYTQLOLFV-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.48
Rot. Bonds6

About 2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide

2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 66844013) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
PubChem CID66844013
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(COc2ccc(CNC(=O)c3cccnc3N)cc2)cc1
InChIInChI=1S/C21H21N3O2/c1-15-4-6-17(7-5-15)14-26-18-10-8-16(9-11-18)13-24-21(25)19-3-2-12-23-20(19)22/h2-12H,13-14H2,1H3,(H2,22,23)(H,24,25)
InChIKeyRRGFFPYTQLOLFV-UHFFFAOYSA-N
XLogP3.48
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334708
2-amino-N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104243
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-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104552
2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843653
2-amino-N-[[4-(3-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843847
2-amino-N-[[4-(3-propan-2-ylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104254
2-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46586786
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide (CID 66844013) is 2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide is Cc1ccc(COc2ccc(CNC(=O)c3cccnc3N)cc2)cc1.
What is the InChIKey of 2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is RRGFFPYTQLOLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-4-6-17(7-5-15)14-26-18-10-8-16(9-11-18)13-24-21(25)19-3-2-12-23-20(19)22/h2-12H,13-14H2,1H3,(H2,22,23)(H,24,25).
What are the key properties of 2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide?
2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 66844013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).