2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide

C20H18N2O3 — CID 39576822

IUPAC2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H18N2O3/c1-24-20-18(11-6-12-21-20)19(23)22-14-15-7-5-10-17(13-15)25-16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,22,23)
InChIKeyHIJPDTRSUNAUEG-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.81
Rot. Bonds6

About 2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide

2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 39576822) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID39576822
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H18N2O3/c1-24-20-18(11-6-12-21-20)19(23)22-14-15-7-5-10-17(13-15)25-16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,22,23)
InChIKeyHIJPDTRSUNAUEG-UHFFFAOYSA-N
XLogP3.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615083
2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 24903460
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
(2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid
CID 23529310
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
2-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 75503782
N-[(3-phenoxyphenyl)methyl]-2-pyrazol-1-ylbenzamide
CID 166323321
2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104552
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612326
N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-2-methoxypyridine-3-carboxamide
CID 91630468
2-iodo-N-[(3-methoxyphenyl)methyl]benzamide
CID 2468432
N-[2-(3-bromophenoxy)ethyl]-2-methoxypyridine-3-carboxamide
CID 55919722

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide (CID 39576822) is 2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide is COc1ncccc1C(=O)NCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is HIJPDTRSUNAUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-24-20-18(11-6-12-21-20)19(23)22-14-15-7-5-10-17(13-15)25-16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,22,23).
What are the key properties of 2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide?
2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 39576822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).