N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide

C16H16F2N2O3 — CID 42007122

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H16F2N2O3/c1-2-22-15-13(4-3-9-19-15)14(21)20-10-11-5-7-12(8-6-11)23-16(17)18/h3-9,16H,2,10H2,1H3,(H,20,21)
InChIKeyFJFOMCDSOSTYBP-UHFFFAOYSA-N
MW322.31 g/mol
LogP3.01
Rot. Bonds7

About N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide

N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide (PubChem CID 42007122) has the molecular formula C16H16F2N2O3 and a molecular weight of 322.31 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide
PubChem CID42007122
Molecular FormulaC16H16F2N2O3
Molecular Weight322.31 g/mol
Exact Mass322.11
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H16F2N2O3/c1-2-22-15-13(4-3-9-19-15)14(21)20-10-11-5-7-12(8-6-11)23-16(17)18/h3-9,16H,2,10H2,1H3,(H,20,21)
InChIKeyFJFOMCDSOSTYBP-UHFFFAOYSA-N
XLogP3.01
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 119247313
2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55800925
3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 107518753
2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide
CID 55886671
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
CID 42006664
2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334708
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide
CID 90650071
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31909915
2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide
CID 39047207
methyl 2-[(2-ethoxypyridine-3-carbonyl)amino]acetate
CID 27682250
(2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid
CID 23529310
2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 166385426

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide (CID 42007122) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide?
The InChIKey is FJFOMCDSOSTYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3/c1-2-22-15-13(4-3-9-19-15)14(21)20-10-11-5-7-12(8-6-11)23-16(17)18/h3-9,16H,2,10H2,1H3,(H,20,21).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide has a molecular weight of 322.31 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 42007122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).