6-[2-(3,4-difluorophenoxy)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide

C17H19F2N3O3 — CID 155947426

IUPAC6-[2-(3,4-difluorophenoxy)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(NCCOc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C17H19F2N3O3/c1-24-8-6-21-17(23)12-2-5-16(22-11-12)20-7-9-25-13-3-4-14(18)15(19)10-13/h2-5,10-11H,6-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyNONSVIWPECIPKF-UHFFFAOYSA-N
MW351.35 g/mol
LogP2.23
Rot. Bonds9

About 6-[2-(3,4-difluorophenoxy)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide

6-[2-(3,4-difluorophenoxy)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 155947426) has the molecular formula C17H19F2N3O3 and a molecular weight of 351.35 g/mol. Its IUPAC name is 6-[2-(3,4-difluorophenoxy)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(3,4-difluorophenoxy)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID155947426
Molecular FormulaC17H19F2N3O3
Molecular Weight351.35 g/mol
Exact Mass351.14
IUPAC Name6-[2-(3,4-difluorophenoxy)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(NCCOc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C17H19F2N3O3/c1-24-8-6-21-17(23)12-2-5-16(22-11-12)20-7-9-25-13-3-4-14(18)15(19)10-13/h2-5,10-11H,6-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyNONSVIWPECIPKF-UHFFFAOYSA-N
XLogP2.23
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[2-(3,4-difluorophenoxy)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329643
N-(2-fluorophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109160901
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550
N-[2-(3,4-difluorophenoxy)ethyl]-4-(2H-tetrazol-5-yl)benzamide
CID 56782452
3,4-difluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30349624
N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109152863
6-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyridine-3-carboxamide
CID 109151337
N-[2-(4-methoxyphenoxy)ethyl]-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155978
3-bromo-N-[2-(3,4-difluorophenoxy)ethyl]benzamide
CID 113102457
4-[(carbamoylamino)methyl]-N-[2-(3,4-difluorophenoxy)ethyl]benzamide
CID 56803329
6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153355
N-(2-methoxyethyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109152998

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-difluorophenoxy)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[2-(3,4-difluorophenoxy)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 155947426) is 6-[2-(3,4-difluorophenoxy)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(3,4-difluorophenoxy)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(3,4-difluorophenoxy)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1ccc(NCCOc2ccc(F)c(F)c2)nc1.
What is the InChIKey of 6-[2-(3,4-difluorophenoxy)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is NONSVIWPECIPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3/c1-24-8-6-21-17(23)12-2-5-16(22-11-12)20-7-9-25-13-3-4-14(18)15(19)10-13/h2-5,10-11H,6-9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 6-[2-(3,4-difluorophenoxy)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
6-[2-(3,4-difluorophenoxy)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 351.35 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-difluorophenoxy)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 155947426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).