6-chloro-N-ethoxy-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]pyridine-3-carboxamide

C20H18ClFN4O3 — CID 163387350

IUPAC6-chloro-N-ethoxy-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]pyridine-3-carboxamide
SMILESCCONC(=O)c1cnc(Cl)cc1Nc1cccc(-c2ccc(F)cn2)c1OC
InChIInChI=1S/C20H18ClFN4O3/c1-3-29-26-20(27)14-11-24-18(21)9-17(14)25-16-6-4-5-13(19(16)28-2)15-8-7-12(22)10-23-15/h4-11H,3H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyOABXVFSKSSGOQX-UHFFFAOYSA-N
MW416.84 g/mol
LogP4.37
Rot. Bonds7

About 6-chloro-N-ethoxy-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]pyridine-3-carboxamide

6-chloro-N-ethoxy-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]pyridine-3-carboxamide (PubChem CID 163387350) has the molecular formula C20H18ClFN4O3 and a molecular weight of 416.84 g/mol. Its IUPAC name is 6-chloro-N-ethoxy-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-ethoxy-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]pyridine-3-carboxamide
PubChem CID163387350
Molecular FormulaC20H18ClFN4O3
Molecular Weight416.84 g/mol
Exact Mass416.11
IUPAC Name6-chloro-N-ethoxy-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]pyridine-3-carboxamide
SMILESCCONC(=O)c1cnc(Cl)cc1Nc1cccc(-c2ccc(F)cn2)c1OC
InChIInChI=1S/C20H18ClFN4O3/c1-3-29-26-20(27)14-11-24-18(21)9-17(14)25-16-6-4-5-13(19(16)28-2)15-8-7-12(22)10-23-15/h4-11H,3H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyOABXVFSKSSGOQX-UHFFFAOYSA-N
XLogP4.37
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.84
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(5-chloropyrimidin-2-yl)-2-methoxyanilino]-N-ethoxy-6-[[3-fluoro-2-(fluoromethyl)propanoyl]amino]pyridine-3-carboxamide
CID 170281954
4-[3-(5-chloropyrimidin-2-yl)-2-methoxyanilino]-N-ethoxy-6-(pyrimidin-2-ylamino)pyridine-3-carboxamide
CID 163387560
6-(1-carbamoyl-2,2-difluorocyclopropyl)-4-[3-(5-chloropyrimidin-2-yl)-2-methoxyanilino]-N-ethoxypyridine-3-carboxamide
CID 175304155
N-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide
CID 166492549
6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane
CID 144625234
6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbohydrazide
CID 134439018
1-[6-chloro-4-(2-methoxy-3-pyrazin-2-ylanilino)-3-pyridinyl]ethanone
CID 170318107
6-chloro-4-[3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridine-3-carboxamide;3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyaniline;methane
CID 162213612
1-[6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]-3-methylbutan-1-one
CID 175174540
3-[[2-chloro-5-(trideuteriomethylcarbamoyl)-4-pyridinyl]amino]-2-methoxybenzoic acid
CID 170556958
6-[(5-fluoro-2-pyridinyl)amino]-N-methoxy-4-[3-(1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)anilino]pyridine-3-carboxamide
CID 163387397
6-chloro-N-ethoxy-4-[5-fluoro-4-methyl-2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide
CID 167101251

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethoxy-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-ethoxy-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]pyridine-3-carboxamide (CID 163387350) is 6-chloro-N-ethoxy-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-ethoxy-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-ethoxy-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]pyridine-3-carboxamide is CCONC(=O)c1cnc(Cl)cc1Nc1cccc(-c2ccc(F)cn2)c1OC.
What is the InChIKey of 6-chloro-N-ethoxy-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]pyridine-3-carboxamide?
The InChIKey is OABXVFSKSSGOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O3/c1-3-29-26-20(27)14-11-24-18(21)9-17(14)25-16-6-4-5-13(19(16)28-2)15-8-7-12(22)10-23-15/h4-11H,3H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 6-chloro-N-ethoxy-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]pyridine-3-carboxamide?
6-chloro-N-ethoxy-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]pyridine-3-carboxamide has a molecular weight of 416.84 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethoxy-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]pyridine-3-carboxamide is sourced from PubChem (CID 163387350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).