4-(3-chloro-4-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide

C21H19ClFN3O2 — CID 109214551

IUPAC4-(3-chloro-4-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(Nc3ccc(F)c(Cl)c3)ccn2)cc1
InChIInChI=1S/C21H19ClFN3O2/c1-28-17-5-2-14(3-6-17)8-10-25-21(27)20-13-16(9-11-24-20)26-15-4-7-19(23)18(22)12-15/h2-7,9,11-13H,8,10H2,1H3,(H,24,26)(H,25,27)
InChIKeyLOLZDKDNFIRTAW-UHFFFAOYSA-N
MW399.85 g/mol
LogP4.60
Rot. Bonds7

About 4-(3-chloro-4-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide

4-(3-chloro-4-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109214551) has the molecular formula C21H19ClFN3O2 and a molecular weight of 399.85 g/mol. Its IUPAC name is 4-(3-chloro-4-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
PubChem CID109214551
Molecular FormulaC21H19ClFN3O2
Molecular Weight399.85 g/mol
Exact Mass399.11
IUPAC Name4-(3-chloro-4-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(Nc3ccc(F)c(Cl)c3)ccn2)cc1
InChIInChI=1S/C21H19ClFN3O2/c1-28-17-5-2-14(3-6-17)8-10-25-21(27)20-13-16(9-11-24-20)26-15-4-7-19(23)18(22)12-15/h2-7,9,11-13H,8,10H2,1H3,(H,24,26)(H,25,27)
InChIKeyLOLZDKDNFIRTAW-UHFFFAOYSA-N
XLogP4.60
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.85
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214143
4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214542
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214179
N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212249
methyl 4-[[2-[2-(4-fluorophenyl)ethylcarbamoyl]-4-pyridinyl]amino]benzoate
CID 109214162
N-(2,6-difluorophenyl)-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214633
N-[2-(4-chlorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206249
4-(4-ethylanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214135
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109192362
N-[(2-fluorophenyl)methyl]-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109211205
4-(butan-2-ylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109203465
4-(3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214435

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-(3-chloro-4-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide (CID 109214551) is 4-(3-chloro-4-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(3-chloro-4-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide is COc1ccc(CCNC(=O)c2cc(Nc3ccc(F)c(Cl)c3)ccn2)cc1.
What is the InChIKey of 4-(3-chloro-4-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is LOLZDKDNFIRTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O2/c1-28-17-5-2-14(3-6-17)8-10-25-21(27)20-13-16(9-11-24-20)26-15-4-7-19(23)18(22)12-15/h2-7,9,11-13H,8,10H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-(3-chloro-4-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
4-(3-chloro-4-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 399.85 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109214551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).