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

C21H21N3O3 — CID 58104243

IUPAC2-amino-N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1COc1ccc(CNC(=O)c2cccnc2N)cc1
InChIInChI=1S/C21H21N3O3/c1-26-19-7-3-2-5-16(19)14-27-17-10-8-15(9-11-17)13-24-21(25)18-6-4-12-23-20(18)22/h2-12H,13-14H2,1H3,(H2,22,23)(H,24,25)
InChIKeyJKHRLIUEMAZXPO-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.18
Rot. Bonds7

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

2-amino-N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 58104243) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-amino-N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
PubChem CID58104243
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-amino-N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1COc1ccc(CNC(=O)c2cccnc2N)cc1
InChIInChI=1S/C21H21N3O3/c1-26-19-7-3-2-5-16(19)14-27-17-10-8-15(9-11-17)13-24-21(25)18-6-4-12-23-20(18)22/h2-12H,13-14H2,1H3,(H2,22,23)(H,24,25)
InChIKeyJKHRLIUEMAZXPO-UHFFFAOYSA-N
XLogP3.18
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66844013
2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334708
2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843653
2-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46586786
2-amino-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334706
2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104552
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-(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-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 66843496
2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843271

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide (CID 58104243) is 2-amino-N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide is COc1ccccc1COc1ccc(CNC(=O)c2cccnc2N)cc1.
What is the InChIKey of 2-amino-N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is JKHRLIUEMAZXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-19-7-3-2-5-16(19)14-27-17-10-8-15(9-11-17)13-24-21(25)18-6-4-12-23-20(18)22/h2-12H,13-14H2,1H3,(H2,22,23)(H,24,25).
What are the key properties of 2-amino-N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide?
2-amino-N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 58104243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).