N-[3-[dideuterio(fluoro)methoxy]phenyl]pyridine-2-carboxamide

C13H11FN2O2 — CID 122187796

IUPACN-[3-[dideuterio(fluoro)methoxy]phenyl]pyridine-2-carboxamide
SMILES[2H]C([2H])(F)Oc1cccc(NC(=O)c2ccccn2)c1
InChIInChI=1S/C13H11FN2O2/c14-9-18-11-5-3-4-10(8-11)16-13(17)12-6-1-2-7-15-12/h1-8H,9H2,(H,16,17)/i9D2
InChIKeySXVNXZWIJVJYDK-KNXIQCGSSA-N
MW248.25 g/mol
LogP2.64
Rot. Bonds4

About N-[3-[dideuterio(fluoro)methoxy]phenyl]pyridine-2-carboxamide

N-[3-[dideuterio(fluoro)methoxy]phenyl]pyridine-2-carboxamide (PubChem CID 122187796) has the molecular formula C13H11FN2O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is N-[3-[dideuterio(fluoro)methoxy]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[dideuterio(fluoro)methoxy]phenyl]pyridine-2-carboxamide
PubChem CID122187796
Molecular FormulaC13H11FN2O2
Molecular Weight248.25 g/mol
Exact Mass248.09
IUPAC NameN-[3-[dideuterio(fluoro)methoxy]phenyl]pyridine-2-carboxamide
SMILES[2H]C([2H])(F)Oc1cccc(NC(=O)c2ccccn2)c1
InChIInChI=1S/C13H11FN2O2/c14-9-18-11-5-3-4-10(8-11)16-13(17)12-6-1-2-7-15-12/h1-8H,9H2,(H,16,17)/i9D2
InChIKeySXVNXZWIJVJYDK-KNXIQCGSSA-N
XLogP2.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

VU0361737
CID 44191096
4-Methoxypicolinamide
CID 5214209
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-2-carboxamide
CID 45560410
N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 5297391
N-(3-(difluoromethoxy)phenyl)picolinamide
CID 44189740
N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 2447227
N-(4-fluoro-3-methoxyphenyl)picolinamide
CID 42644786
N-(3-methoxy-4-methylphenyl)picolinamide
CID 44191178
N-(benzo[d][1,3]dioxol-5-yl)picolinamide
CID 738280
N-(2-Methoxy-phenyl)-3-[(pyridine-2-carbonyl)-hydrazono]-butyramide
CID 9592392
Caerulomycin I
CID 53484025
N-(3-methoxyphenyl)nicotinamide
CID 668900

Frequently Asked Questions

What is the IUPAC name of N-[3-[dideuterio(fluoro)methoxy]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[dideuterio(fluoro)methoxy]phenyl]pyridine-2-carboxamide (CID 122187796) is N-[3-[dideuterio(fluoro)methoxy]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[dideuterio(fluoro)methoxy]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[dideuterio(fluoro)methoxy]phenyl]pyridine-2-carboxamide is [2H]C([2H])(F)Oc1cccc(NC(=O)c2ccccn2)c1.
What is the InChIKey of N-[3-[dideuterio(fluoro)methoxy]phenyl]pyridine-2-carboxamide?
The InChIKey is SXVNXZWIJVJYDK-KNXIQCGSSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-9-18-11-5-3-4-10(8-11)16-13(17)12-6-1-2-7-15-12/h1-8H,9H2,(H,16,17)/i9D2.
What are the key properties of N-[3-[dideuterio(fluoro)methoxy]phenyl]pyridine-2-carboxamide?
N-[3-[dideuterio(fluoro)methoxy]phenyl]pyridine-2-carboxamide has a molecular weight of 248.25 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[dideuterio(fluoro)methoxy]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 122187796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).