N-[(3-methyloxetan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide

C18H20N2O3 — CID 99122923

IUPACN-[(3-methyloxetan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide
SMILESCC1(CNC(=O)c2ccnc(OCc3ccccc3)c2)COC1
InChIInChI=1S/C18H20N2O3/c1-18(12-22-13-18)11-20-17(21)15-7-8-19-16(9-15)23-10-14-5-3-2-4-6-14/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyOSPKCRLHPFPQLF-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.43
Rot. Bonds6

About N-[(3-methyloxetan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide

N-[(3-methyloxetan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide (PubChem CID 99122923) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide
PubChem CID99122923
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide
SMILESCC1(CNC(=O)c2ccnc(OCc3ccccc3)c2)COC1
InChIInChI=1S/C18H20N2O3/c1-18(12-22-13-18)11-20-17(21)15-7-8-19-16(9-15)23-10-14-5-3-2-4-6-14/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyOSPKCRLHPFPQLF-UHFFFAOYSA-N
XLogP2.43
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-phenylmethoxypyridine-4-carboxamide
CID 47366269
N-methoxy-2-phenylmethoxypyridine-4-carboxamide
CID 47366546
N-(1,2-oxazol-5-ylmethyl)-2-phenylmethoxypyridine-4-carboxamide
CID 122141693
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenylmethoxypyridine-4-carboxamide
CID 110908784
methyl 1-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylate
CID 86834370
N-[1-oxo-1-(propylamino)propan-2-yl]-2-phenylmethoxypyridine-4-carboxamide
CID 51091437
3-(4-methoxypyrimidin-2-yl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 119067804
N'-(3,4-dimethoxybenzoyl)-2-phenylmethoxypyridine-4-carbohydrazide
CID 55996835
2-phenylmethoxy-N-(2-phenylphenyl)pyridine-4-carboxamide
CID 60566988
N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide
CID 60566835
methyl 2-hydroxy-3-[(2-phenylmethoxypyridine-4-carbonyl)amino]benzoate
CID 56543998

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide (CID 99122923) is N-[(3-methyloxetan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide is CC1(CNC(=O)c2ccnc(OCc3ccccc3)c2)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide?
The InChIKey is OSPKCRLHPFPQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-18(12-22-13-18)11-20-17(21)15-7-8-19-16(9-15)23-10-14-5-3-2-4-6-14/h2-9H,10-13H2,1H3,(H,20,21).
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide?
N-[(3-methyloxetan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide is sourced from PubChem (CID 99122923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).