N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenylmethoxypyridine-4-carboxamide

C21H20N2O3 — CID 110908784

IUPACN-[[2-(hydroxymethyl)phenyl]methyl]-2-phenylmethoxypyridine-4-carboxamide
SMILESO=C(NCc1ccccc1CO)c1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C21H20N2O3/c24-14-19-9-5-4-8-18(19)13-23-21(25)17-10-11-22-20(12-17)26-15-16-6-2-1-3-7-16/h1-12,24H,13-15H2,(H,23,25)
InChIKeyCLKGCUDPOZTTKB-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.08
Rot. Bonds7

About N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenylmethoxypyridine-4-carboxamide

N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenylmethoxypyridine-4-carboxamide (PubChem CID 110908784) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenylmethoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)phenyl]methyl]-2-phenylmethoxypyridine-4-carboxamide
PubChem CID110908784
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[[2-(hydroxymethyl)phenyl]methyl]-2-phenylmethoxypyridine-4-carboxamide
SMILESO=C(NCc1ccccc1CO)c1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C21H20N2O3/c24-14-19-9-5-4-8-18(19)13-23-21(25)17-10-11-22-20(12-17)26-15-16-6-2-1-3-7-16/h1-12,24H,13-15H2,(H,23,25)
InChIKeyCLKGCUDPOZTTKB-UHFFFAOYSA-N
XLogP3.08
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-phenylmethoxypyridine-4-carboxamide
CID 47366269
N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
N-(1,2-oxazol-5-ylmethyl)-2-phenylmethoxypyridine-4-carboxamide
CID 122141693
N-methoxy-2-phenylmethoxypyridine-4-carboxamide
CID 47366546
N-[(2-phenylmethoxy-4-pyridinyl)methyl]furan-3-carboxamide
CID 46475605
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
CID 46469686
2-phenylmethoxy-N-(2-phenylphenyl)pyridine-4-carboxamide
CID 60566988
N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide
CID 60566835
N-[1-oxo-1-(propylamino)propan-2-yl]-2-phenylmethoxypyridine-4-carboxamide
CID 51091437
N-[(3-methyloxetan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide
CID 99122923
2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46469673
N'-(3,4-dimethoxybenzoyl)-2-phenylmethoxypyridine-4-carbohydrazide
CID 55996835

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenylmethoxypyridine-4-carboxamide?
The IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenylmethoxypyridine-4-carboxamide (CID 110908784) is N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenylmethoxypyridine-4-carboxamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenylmethoxypyridine-4-carboxamide?
The canonical SMILES for N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenylmethoxypyridine-4-carboxamide is O=C(NCc1ccccc1CO)c1ccnc(OCc2ccccc2)c1.
What is the InChIKey of N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenylmethoxypyridine-4-carboxamide?
The InChIKey is CLKGCUDPOZTTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-14-19-9-5-4-8-18(19)13-23-21(25)17-10-11-22-20(12-17)26-15-16-6-2-1-3-7-16/h1-12,24H,13-15H2,(H,23,25).
What are the key properties of N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenylmethoxypyridine-4-carboxamide?
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenylmethoxypyridine-4-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenylmethoxypyridine-4-carboxamide is sourced from PubChem (CID 110908784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).