2-chloro-N-ethoxy-4-(5-fluoro-2-methoxy-3-pyrazin-2-ylanilino)pyridine-3-carboxamide

C19H17ClFN5O3 — CID 175887632

IUPAC2-chloro-N-ethoxy-4-(5-fluoro-2-methoxy-3-pyrazin-2-ylanilino)pyridine-3-carboxamide
SMILESCCONC(=O)c1c(Nc2cc(F)cc(-c3cnccn3)c2OC)ccnc1Cl
InChIInChI=1S/C19H17ClFN5O3/c1-3-29-26-19(27)16-13(4-5-24-18(16)20)25-14-9-11(21)8-12(17(14)28-2)15-10-22-6-7-23-15/h4-10H,3H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyACYCHORVMABQQB-UHFFFAOYSA-N
MW417.83 g/mol
LogP3.76
Rot. Bonds7

About 2-chloro-N-ethoxy-4-(5-fluoro-2-methoxy-3-pyrazin-2-ylanilino)pyridine-3-carboxamide

2-chloro-N-ethoxy-4-(5-fluoro-2-methoxy-3-pyrazin-2-ylanilino)pyridine-3-carboxamide (PubChem CID 175887632) has the molecular formula C19H17ClFN5O3 and a molecular weight of 417.83 g/mol. Its IUPAC name is 2-chloro-N-ethoxy-4-(5-fluoro-2-methoxy-3-pyrazin-2-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-ethoxy-4-(5-fluoro-2-methoxy-3-pyrazin-2-ylanilino)pyridine-3-carboxamide
PubChem CID175887632
Molecular FormulaC19H17ClFN5O3
Molecular Weight417.83 g/mol
Exact Mass417.10
IUPAC Name2-chloro-N-ethoxy-4-(5-fluoro-2-methoxy-3-pyrazin-2-ylanilino)pyridine-3-carboxamide
SMILESCCONC(=O)c1c(Nc2cc(F)cc(-c3cnccn3)c2OC)ccnc1Cl
InChIInChI=1S/C19H17ClFN5O3/c1-3-29-26-19(27)16-13(4-5-24-18(16)20)25-14-9-11(21)8-12(17(14)28-2)15-10-22-6-7-23-15/h4-10H,3H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyACYCHORVMABQQB-UHFFFAOYSA-N
XLogP3.76
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.83
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-chloro-N-ethoxy-4-(5-fluoro-2-methoxy-3-pyrazin-2-ylanilino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethoxy-4-[5-fluoro-2-methoxy-3-(5-methylpyrimidin-2-yl)anilino]pyridazine-3-carboxamide
CID 175427899
6-chloro-N-ethoxy-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]pyridine-3-carboxamide
CID 163387350
1-[6-chloro-4-(2-methoxy-3-pyrazin-2-ylanilino)-3-pyridinyl]ethanone
CID 170318107
6-[(2,5-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[5-fluoro-2-methoxy-3-(5-methylpyrimidin-2-yl)anilino]pyridine-3-carboxamide
CID 167101505
4-[3-(5-chloropyrimidin-2-yl)-2-methoxyanilino]-N-ethoxy-6-(pyrimidin-2-ylamino)pyridine-3-carboxamide
CID 163387560
N-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
CID 170318082
6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]pyridazine-3-carboxamide
CID 163387500
6-(1-carbamoyl-2,2-difluorocyclopropyl)-4-[3-(5-chloropyrimidin-2-yl)-2-methoxyanilino]-N-ethoxypyridine-3-carboxamide
CID 175304155
4-[3-(5-chloropyrimidin-2-yl)-2-methoxyanilino]-N-ethoxy-6-[[3-fluoro-2-(fluoromethyl)propanoyl]amino]pyridine-3-carboxamide
CID 170281954
4-[5-fluoro-2-methoxy-3-(5-methylpyrazin-2-yl)anilino]-6-[(6-fluoro-2-methyl-3-pyridinyl)amino]-N-methoxypyridine-3-carboxamide
CID 163387582
4-[3-[1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-ethoxypyridazine-3-carboxamide
CID 175966216
CID 174037329
CID 174037329

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethoxy-4-(5-fluoro-2-methoxy-3-pyrazin-2-ylanilino)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-ethoxy-4-(5-fluoro-2-methoxy-3-pyrazin-2-ylanilino)pyridine-3-carboxamide (CID 175887632) is 2-chloro-N-ethoxy-4-(5-fluoro-2-methoxy-3-pyrazin-2-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-ethoxy-4-(5-fluoro-2-methoxy-3-pyrazin-2-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-ethoxy-4-(5-fluoro-2-methoxy-3-pyrazin-2-ylanilino)pyridine-3-carboxamide is CCONC(=O)c1c(Nc2cc(F)cc(-c3cnccn3)c2OC)ccnc1Cl.
What is the InChIKey of 2-chloro-N-ethoxy-4-(5-fluoro-2-methoxy-3-pyrazin-2-ylanilino)pyridine-3-carboxamide?
The InChIKey is ACYCHORVMABQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5O3/c1-3-29-26-19(27)16-13(4-5-24-18(16)20)25-14-9-11(21)8-12(17(14)28-2)15-10-22-6-7-23-15/h4-10H,3H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 2-chloro-N-ethoxy-4-(5-fluoro-2-methoxy-3-pyrazin-2-ylanilino)pyridine-3-carboxamide?
2-chloro-N-ethoxy-4-(5-fluoro-2-methoxy-3-pyrazin-2-ylanilino)pyridine-3-carboxamide has a molecular weight of 417.83 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethoxy-4-(5-fluoro-2-methoxy-3-pyrazin-2-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 175887632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).