5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide

C22H22FN3O3 — CID 109236471

IUPAC5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)NCCc3ccc(F)cc3)c2)c(OC)c1
InChIInChI=1S/C22H22FN3O3/c1-28-19-7-8-20(21(12-19)29-2)26-18-11-16(13-24-14-18)22(27)25-10-9-15-3-5-17(23)6-4-15/h3-8,11-14,26H,9-10H2,1-2H3,(H,25,27)
InChIKeyUWQLWHVCVTWFCB-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.95
Rot. Bonds8

About 5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide

5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 109236471) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID109236471
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)NCCc3ccc(F)cc3)c2)c(OC)c1
InChIInChI=1S/C22H22FN3O3/c1-28-19-7-8-20(21(12-19)29-2)26-18-11-16(13-24-14-18)22(27)25-10-9-15-3-5-17(23)6-4-15/h3-8,11-14,26H,9-10H2,1-2H3,(H,25,27)
InChIKeyUWQLWHVCVTWFCB-UHFFFAOYSA-N
XLogP3.95
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236485
5-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236460
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228217
5-(2,4-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243459
5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236857
5-(2,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109245660
5-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109245108
5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235293
5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227666
5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234458
N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109227669
N-[2-(2-fluorophenyl)ethyl]-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236233

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide (CID 109236471) is 5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide is COc1ccc(Nc2cncc(C(=O)NCCc3ccc(F)cc3)c2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is UWQLWHVCVTWFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-28-19-7-8-20(21(12-19)29-2)26-18-11-16(13-24-14-18)22(27)25-10-9-15-3-5-17(23)6-4-15/h3-8,11-14,26H,9-10H2,1-2H3,(H,25,27).
What are the key properties of 5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109236471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).