N-[5-[N-[(5,6-difluoro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide

C20H17F2N5O2 — CID 123575522

IUPACN-[5-[N-[(5,6-difluoro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCCC(=NOc1cnc(F)c(F)c1)c1ccc(NC(=O)c2cnccc2C)nc1
InChIInChI=1S/C20H17F2N5O2/c1-3-17(27-29-14-8-16(21)19(22)25-10-14)13-4-5-18(24-9-13)26-20(28)15-11-23-7-6-12(15)2/h4-11H,3H2,1-2H3,(H,24,26,28)
InChIKeyZSKULIFVNKOGPY-UHFFFAOYSA-N
MW397.39 g/mol
LogP3.90
Rot. Bonds6

About N-[5-[N-[(5,6-difluoro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide

N-[5-[N-[(5,6-difluoro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (PubChem CID 123575522) has the molecular formula C20H17F2N5O2 and a molecular weight of 397.39 g/mol. Its IUPAC name is N-[5-[N-[(5,6-difluoro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[N-[(5,6-difluoro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
PubChem CID123575522
Molecular FormulaC20H17F2N5O2
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC NameN-[5-[N-[(5,6-difluoro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCCC(=NOc1cnc(F)c(F)c1)c1ccc(NC(=O)c2cnccc2C)nc1
InChIInChI=1S/C20H17F2N5O2/c1-3-17(27-29-14-8-16(21)19(22)25-10-14)13-4-5-18(24-9-13)26-20(28)15-11-23-7-6-12(15)2/h4-11H,3H2,1-2H3,(H,24,26,28)
InChIKeyZSKULIFVNKOGPY-UHFFFAOYSA-N
XLogP3.90
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(Z)-N-[(3,5-difluoro-2-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 89156183
N-[5-[N-[(4-chloro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-2-methylpyridine-3-carboxamide
CID 154240984
N-[5-[(Z)-C-ethyl-N-pyrazin-2-yloxycarbonimidoyl]-2-pyridinyl]-2,6-difluorobenzamide
CID 89156315
N-[5-(C-ethyl-N-pyridazin-3-yloxycarbonimidoyl)-2-pyridinyl]-2,6-difluorobenzamide
CID 123670569
N-[5-[(Z)-C-ethyl-N-[(6-isocyano-3-pyridinyl)oxy]carbonimidoyl]-2-pyridinyl]-2,6-difluorobenzamide
CID 123593080
N-[5-[N-[(2-cyano-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-2,6-difluorobenzamide
CID 123314243
N-[5-[(E)-C-ethyl-N-[(2E,4Z)-2-methyl-5-(methylideneamino)penta-2,4-dienoxy]carbonimidoyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 130319195
N-[5-(2-ethyl-5-methoxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide
CID 126722767
N-[5-[5-(fluoromethylsulfonyl)-2-methylphenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
CID 90227249
6-[(2-fluoro-4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 102881937
N-[5-(2-chloro-5-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide
CID 71010092
4-methyl-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 110865121

Frequently Asked Questions

What is the IUPAC name of N-[5-[N-[(5,6-difluoro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[N-[(5,6-difluoro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (CID 123575522) is N-[5-[N-[(5,6-difluoro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[N-[(5,6-difluoro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[N-[(5,6-difluoro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is CCC(=NOc1cnc(F)c(F)c1)c1ccc(NC(=O)c2cnccc2C)nc1.
What is the InChIKey of N-[5-[N-[(5,6-difluoro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The InChIKey is ZSKULIFVNKOGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O2/c1-3-17(27-29-14-8-16(21)19(22)25-10-14)13-4-5-18(24-9-13)26-20(28)15-11-23-7-6-12(15)2/h4-11H,3H2,1-2H3,(H,24,26,28).
What are the key properties of N-[5-[N-[(5,6-difluoro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
N-[5-[N-[(5,6-difluoro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide has a molecular weight of 397.39 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[N-[(5,6-difluoro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 123575522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).