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

C21H19F2N3O2 — CID 109214438

IUPAC4-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(Nc3ccc(F)cc3F)ccn2)c1
InChIInChI=1S/C21H19F2N3O2/c1-28-17-4-2-3-14(11-17)7-9-25-21(27)20-13-16(8-10-24-20)26-19-6-5-15(22)12-18(19)23/h2-6,8,10-13H,7,9H2,1H3,(H,24,26)(H,25,27)
InChIKeyWTZKLQCRKVQWQX-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.08
Rot. Bonds7

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

4-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109214438) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is 4-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
PubChem CID109214438
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name4-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(Nc3ccc(F)cc3F)ccn2)c1
InChIInChI=1S/C21H19F2N3O2/c1-28-17-4-2-3-14(11-17)7-9-25-21(27)20-13-16(8-10-24-20)26-19-6-5-15(22)12-18(19)23/h2-6,8,10-13H,7,9H2,1H3,(H,24,26)(H,25,27)
InChIKeyWTZKLQCRKVQWQX-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

4-(3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214435
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214178
5-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284770
4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214542
4-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214408
N-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109202632
4-(cyclopentylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109204211
5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192661
4-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 109221968
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214179
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088169
2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761695

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide (CID 109214438) is 4-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide is COc1cccc(CCNC(=O)c2cc(Nc3ccc(F)cc3F)ccn2)c1.
What is the InChIKey of 4-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is WTZKLQCRKVQWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c1-28-17-4-2-3-14(11-17)7-9-25-21(27)20-13-16(8-10-24-20)26-19-6-5-15(22)12-18(19)23/h2-6,8,10-13H,7,9H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
4-(2,4-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 4-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109214438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).