5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide

C22H22FN3O2 — CID 109189720

IUPAC5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc(NCc3ccc(F)cc3)cn2)c1
InChIInChI=1S/C22H22FN3O2/c1-28-20-4-2-3-16(13-20)11-12-24-22(27)21-10-9-19(15-26-21)25-14-17-5-7-18(23)8-6-17/h2-10,13,15,25H,11-12,14H2,1H3,(H,24,27)
InChIKeyBULXSPIWAWYFMY-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.81
Rot. Bonds8

About 5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide

5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109189720) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
PubChem CID109189720
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc(NCc3ccc(F)cc3)cn2)c1
InChIInChI=1S/C22H22FN3O2/c1-28-20-4-2-3-16(13-20)11-12-24-22(27)21-10-9-19(15-26-21)25-14-17-5-7-18(23)8-6-17/h2-10,13,15,25H,11-12,14H2,1H3,(H,24,27)
InChIKeyBULXSPIWAWYFMY-UHFFFAOYSA-N
XLogP3.81
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109281680
2-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109305509
5-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109190458
N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188265
N-[2-(3-methoxyphenyl)ethyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181240
5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192661
N-(2,6-difluorophenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192723
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214178
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109183632
5-[2-(3-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180271
N-[2-(4-fluorophenyl)ethyl]-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122136
5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192640

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide (CID 109189720) is 5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide is COc1cccc(CCNC(=O)c2ccc(NCc3ccc(F)cc3)cn2)c1.
What is the InChIKey of 5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is BULXSPIWAWYFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-28-20-4-2-3-16(13-20)11-12-24-22(27)21-10-9-19(15-26-21)25-14-17-5-7-18(23)8-6-17/h2-10,13,15,25H,11-12,14H2,1H3,(H,24,27).
What are the key properties of 5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109189720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).