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

C21H21N3O3 — CID 58104552

IUPAC2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1cccc(COc2cccc(CNC(=O)c3cccnc3N)c2)c1
InChIInChI=1S/C21H21N3O3/c1-26-17-7-3-6-16(12-17)14-27-18-8-2-5-15(11-18)13-24-21(25)19-9-4-10-23-20(19)22/h2-12H,13-14H2,1H3,(H2,22,23)(H,24,25)
InChIKeyYRACYMYZVJSOGP-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.18
Rot. Bonds7

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

2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 58104552) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
PubChem CID58104552
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1cccc(COc2cccc(CNC(=O)c3cccnc3N)c2)c1
InChIInChI=1S/C21H21N3O3/c1-26-17-7-3-6-16(12-17)14-27-18-8-2-5-15(11-18)13-24-21(25)19-9-4-10-23-20(19)22/h2-12H,13-14H2,1H3,(H2,22,23)(H,24,25)
InChIKeyYRACYMYZVJSOGP-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-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 24903460
2-amino-N-[(3-hex-3-enoxyphenyl)methyl]pyridine-3-carboxamide
CID 66844655
2-amino-N-[[3-[(E)-hex-3-enoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66844654
2-amino-N-[(3-hept-3-ynoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843557
2-[(3-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615083
2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66844013
2-amino-N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104243
2-amino-N-[[3-(2-ethynylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 87176373
4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 81242597
2-amino-N-[[4-(3-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843847
2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide
CID 174625318
2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 39576822

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide (CID 58104552) is 2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide is COc1cccc(COc2cccc(CNC(=O)c3cccnc3N)c2)c1.
What is the InChIKey of 2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is YRACYMYZVJSOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-17-7-3-6-16(12-17)14-27-18-8-2-5-15(11-18)13-24-21(25)19-9-4-10-23-20(19)22/h2-12H,13-14H2,1H3,(H2,22,23)(H,24,25).
What are the key properties of 2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide?
2-amino-N-[[3-[(3-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-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 58104552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).