5-[2-(2-fluorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

C22H22FN3O2 — CID 109234374

IUPAC5-[2-(2-fluorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cncc(NCCc3ccccc3F)c2)cc1
InChIInChI=1S/C22H22FN3O2/c1-28-20-8-6-16(7-9-20)13-26-22(27)18-12-19(15-24-14-18)25-11-10-17-4-2-3-5-21(17)23/h2-9,12,14-15,25H,10-11,13H2,1H3,(H,26,27)
InChIKeyWSISGEVGMPRPMX-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.81
Rot. Bonds8

About 5-[2-(2-fluorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

5-[2-(2-fluorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109234374) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-[2-(2-fluorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(2-fluorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID109234374
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name5-[2-(2-fluorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cncc(NCCc3ccccc3F)c2)cc1
InChIInChI=1S/C22H22FN3O2/c1-28-20-8-6-16(7-9-20)13-26-22(27)18-12-19(15-24-14-18)25-11-10-17-4-2-3-5-21(17)23/h2-9,12,14-15,25H,10-11,13H2,1H3,(H,26,27)
InChIKeyWSISGEVGMPRPMX-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

N-[2-(2-fluorophenyl)ethyl]-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236233
5-[2-(2-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109236376
5-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235494
N-[(2-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109233796
N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109227669
5-[(4-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109234472
5-[(4-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109233661
5-[2-(2-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231307
N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109224372
5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234458
5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228022
5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236857

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(2-fluorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 109234374) is 5-[2-(2-fluorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(2-fluorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(2-fluorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2cncc(NCCc3ccccc3F)c2)cc1.
What is the InChIKey of 5-[2-(2-fluorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is WSISGEVGMPRPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-28-20-8-6-16(7-9-20)13-26-22(27)18-12-19(15-24-14-18)25-11-10-17-4-2-3-5-21(17)23/h2-9,12,14-15,25H,10-11,13H2,1H3,(H,26,27).
What are the key properties of 5-[2-(2-fluorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
5-[2-(2-fluorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-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-[2-(2-fluorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109234374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).