N-[5-[N-[(4-chloro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-2-methylpyridine-3-carboxamide

C20H17ClFN5O2 — CID 154240984

IUPACN-[5-[N-[(4-chloro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-2-methylpyridine-3-carboxamide
SMILESCCC(=NOc1cnccc1Cl)c1ccc(NC(=O)c2cc(F)cnc2C)nc1
InChIInChI=1S/C20H17ClFN5O2/c1-3-17(27-29-18-11-23-7-6-16(18)21)13-4-5-19(25-9-13)26-20(28)15-8-14(22)10-24-12(15)2/h4-11H,3H2,1-2H3,(H,25,26,28)
InChIKeyYCPVDFFCLROPDW-UHFFFAOYSA-N
MW413.84 g/mol
LogP4.42
Rot. Bonds6

About N-[5-[N-[(4-chloro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-2-methylpyridine-3-carboxamide

N-[5-[N-[(4-chloro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-2-methylpyridine-3-carboxamide (PubChem CID 154240984) has the molecular formula C20H17ClFN5O2 and a molecular weight of 413.84 g/mol. Its IUPAC name is N-[5-[N-[(4-chloro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[N-[(4-chloro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-2-methylpyridine-3-carboxamide
PubChem CID154240984
Molecular FormulaC20H17ClFN5O2
Molecular Weight413.84 g/mol
Exact Mass413.11
IUPAC NameN-[5-[N-[(4-chloro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-2-methylpyridine-3-carboxamide
SMILESCCC(=NOc1cnccc1Cl)c1ccc(NC(=O)c2cc(F)cnc2C)nc1
InChIInChI=1S/C20H17ClFN5O2/c1-3-17(27-29-18-11-23-7-6-16(18)21)13-4-5-19(25-9-13)26-20(28)15-8-14(22)10-24-12(15)2/h4-11H,3H2,1-2H3,(H,25,26,28)
InChIKeyYCPVDFFCLROPDW-UHFFFAOYSA-N
XLogP4.42
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.84
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[5-[N-[(4-chloro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-2-methylpyridine-3-carboxamide with MolForge

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Launch Full Analysis

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-[(5,6-difluoro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
CID 123575522
N-[5-[(Z)-C-ethyl-N-pyrazin-2-yloxycarbonimidoyl]-2-pyridinyl]-2,6-difluorobenzamide
CID 89156315
N-[5-[N-[(2-cyano-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-2,6-difluorobenzamide
CID 123314243
N-[5-(C-ethyl-N-pyridazin-3-yloxycarbonimidoyl)-2-pyridinyl]-2,6-difluorobenzamide
CID 123670569
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
N-[5-[(Z)-C-ethyl-N-[(6-isocyano-3-pyridinyl)oxy]carbonimidoyl]-2-pyridinyl]-2,6-difluorobenzamide
CID 123593080
5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
CID 114923893
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-fluoro-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245310
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
CID 81232858
4-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 103872553

Frequently Asked Questions

What is the IUPAC name of N-[5-[N-[(4-chloro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[N-[(4-chloro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-2-methylpyridine-3-carboxamide (CID 154240984) is N-[5-[N-[(4-chloro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[N-[(4-chloro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[N-[(4-chloro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-2-methylpyridine-3-carboxamide is CCC(=NOc1cnccc1Cl)c1ccc(NC(=O)c2cc(F)cnc2C)nc1.
What is the InChIKey of N-[5-[N-[(4-chloro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-2-methylpyridine-3-carboxamide?
The InChIKey is YCPVDFFCLROPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN5O2/c1-3-17(27-29-18-11-23-7-6-16(18)21)13-4-5-19(25-9-13)26-20(28)15-8-14(22)10-24-12(15)2/h4-11H,3H2,1-2H3,(H,25,26,28).
What are the key properties of N-[5-[N-[(4-chloro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-2-methylpyridine-3-carboxamide?
N-[5-[N-[(4-chloro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-2-methylpyridine-3-carboxamide has a molecular weight of 413.84 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[N-[(4-chloro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 154240984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).