6-chloro-4-[4-cyclopropyl-2-(oxetan-3-yloxy)anilino]-N-ethoxypyridine-3-carboxamide

C20H22ClN3O4 — CID 163387630

IUPAC6-chloro-4-[4-cyclopropyl-2-(oxetan-3-yloxy)anilino]-N-ethoxypyridine-3-carboxamide
SMILESCCONC(=O)c1cnc(Cl)cc1Nc1ccc(C2CC2)cc1OC1COC1
InChIInChI=1S/C20H22ClN3O4/c1-2-27-24-20(25)15-9-22-19(21)8-17(15)23-16-6-5-13(12-3-4-12)7-18(16)28-14-10-26-11-14/h5-9,12,14H,2-4,10-11H2,1H3,(H,22,23)(H,24,25)
InChIKeyBHOOZMANBRYAQV-UHFFFAOYSA-N
MW403.87 g/mol
LogP3.81
Rot. Bonds8

About 6-chloro-4-[4-cyclopropyl-2-(oxetan-3-yloxy)anilino]-N-ethoxypyridine-3-carboxamide

6-chloro-4-[4-cyclopropyl-2-(oxetan-3-yloxy)anilino]-N-ethoxypyridine-3-carboxamide (PubChem CID 163387630) has the molecular formula C20H22ClN3O4 and a molecular weight of 403.87 g/mol. Its IUPAC name is 6-chloro-4-[4-cyclopropyl-2-(oxetan-3-yloxy)anilino]-N-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[4-cyclopropyl-2-(oxetan-3-yloxy)anilino]-N-ethoxypyridine-3-carboxamide
PubChem CID163387630
Molecular FormulaC20H22ClN3O4
Molecular Weight403.87 g/mol
Exact Mass403.13
IUPAC Name6-chloro-4-[4-cyclopropyl-2-(oxetan-3-yloxy)anilino]-N-ethoxypyridine-3-carboxamide
SMILESCCONC(=O)c1cnc(Cl)cc1Nc1ccc(C2CC2)cc1OC1COC1
InChIInChI=1S/C20H22ClN3O4/c1-2-27-24-20(25)15-9-22-19(21)8-17(15)23-16-6-5-13(12-3-4-12)7-18(16)28-14-10-26-11-14/h5-9,12,14H,2-4,10-11H2,1H3,(H,22,23)(H,24,25)
InChIKeyBHOOZMANBRYAQV-UHFFFAOYSA-N
XLogP3.81
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 53.81
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

6-chloro-4-[4-cyclopropyl-2-[ethylsulfonyl(methyl)amino]anilino]-N-ethoxypyridine-3-carboxamide
CID 163387608
6-chloro-4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxypyridine-3-carboxamide
CID 163387406
6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-morpholin-4-ylanilino]pyridine-3-carboxamide
CID 167101467
4-[4-cyclopropyl-2-[methyl(sulfino)amino]anilino]-5-(ethoxycarbamoyl)-2-[(6-methyl-2-pyridinyl)amino]pyridine
CID 170166824
4-[4-cyclopropyl-2-(methanesulfonamido)anilino]-N-ethoxy-6-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
CID 175304202
6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxamide
CID 167101548
4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxy-6-[(6-methyl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 163387672
4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxy-6-[(6-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
CID 163387509
6-[[4-[4-cyclopropyl-2-[methyl(sulfinato)amino]anilino]-5-(ethoxycarbamoyl)-2-pyridinyl]amino]-3-fluoro-2-methylpyridine
CID 170165897
6-chloro-N-ethoxy-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]pyridine-3-carboxamide
CID 163387350
6-chloro-N-ethoxy-4-[5-fluoro-4-methyl-2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide
CID 167101251
4-cyclopropyl-2-ethoxybenzoyl chloride
CID 86612889

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[4-cyclopropyl-2-(oxetan-3-yloxy)anilino]-N-ethoxypyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-[4-cyclopropyl-2-(oxetan-3-yloxy)anilino]-N-ethoxypyridine-3-carboxamide (CID 163387630) is 6-chloro-4-[4-cyclopropyl-2-(oxetan-3-yloxy)anilino]-N-ethoxypyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[4-cyclopropyl-2-(oxetan-3-yloxy)anilino]-N-ethoxypyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[4-cyclopropyl-2-(oxetan-3-yloxy)anilino]-N-ethoxypyridine-3-carboxamide is CCONC(=O)c1cnc(Cl)cc1Nc1ccc(C2CC2)cc1OC1COC1.
What is the InChIKey of 6-chloro-4-[4-cyclopropyl-2-(oxetan-3-yloxy)anilino]-N-ethoxypyridine-3-carboxamide?
The InChIKey is BHOOZMANBRYAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4/c1-2-27-24-20(25)15-9-22-19(21)8-17(15)23-16-6-5-13(12-3-4-12)7-18(16)28-14-10-26-11-14/h5-9,12,14H,2-4,10-11H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 6-chloro-4-[4-cyclopropyl-2-(oxetan-3-yloxy)anilino]-N-ethoxypyridine-3-carboxamide?
6-chloro-4-[4-cyclopropyl-2-(oxetan-3-yloxy)anilino]-N-ethoxypyridine-3-carboxamide has a molecular weight of 403.87 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[4-cyclopropyl-2-(oxetan-3-yloxy)anilino]-N-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 163387630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).