5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide

C21H19F2N3O2 — CID 109192661

IUPAC5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc(Nc3ccc(F)c(F)c3)cn2)c1
InChIInChI=1S/C21H19F2N3O2/c1-28-17-4-2-3-14(11-17)9-10-24-21(27)20-8-6-16(13-25-20)26-15-5-7-18(22)19(23)12-15/h2-8,11-13,26H,9-10H2,1H3,(H,24,27)
InChIKeyXDRZSHFTLKBPKE-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.08
Rot. Bonds7

About 5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide

5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109192661) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is 5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
PubChem CID109192661
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc(Nc3ccc(F)c(F)c3)cn2)c1
InChIInChI=1S/C21H19F2N3O2/c1-28-17-4-2-3-14(11-17)9-10-24-21(27)20-8-6-16(13-25-20)26-15-5-7-18(22)19(23)12-15/h2-8,11-13,26H,9-10H2,1H3,(H,24,27)
InChIKeyXDRZSHFTLKBPKE-UHFFFAOYSA-N
XLogP4.08
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284777
5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192640
5-(3,4-difluoroanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199817
5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109189720
N-(2,6-difluorophenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192723
N-[2-(3-methoxyphenyl)ethyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181240
5-(3,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190451
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109192362
5-[2-(3-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180271
5-(2,6-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284776
N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188265
5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195545

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide (CID 109192661) is 5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide is COc1cccc(CCNC(=O)c2ccc(Nc3ccc(F)c(F)c3)cn2)c1.
What is the InChIKey of 5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is XDRZSHFTLKBPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c1-28-17-4-2-3-14(11-17)9-10-24-21(27)20-8-6-16(13-25-20)26-15-5-7-18(22)19(23)12-15/h2-8,11-13,26H,9-10H2,1H3,(H,24,27).
What are the key properties of 5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109192661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).