N-(2-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide

C22H22FN3O2 — CID 109172694

IUPACN-(2-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(NCCc2ccc(F)cc2)c1
InChIInChI=1S/C22H22FN3O2/c1-2-28-20-6-4-3-5-19(20)26-22(27)17-12-14-25-21(15-17)24-13-11-16-7-9-18(23)10-8-16/h3-10,12,14-15H,2,11,13H2,1H3,(H,24,25)(H,26,27)
InChIKeyCNFQUZAVWQBRPV-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.53
Rot. Bonds8

About N-(2-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide

N-(2-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide (PubChem CID 109172694) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide
PubChem CID109172694
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-(2-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(NCCc2ccc(F)cc2)c1
InChIInChI=1S/C22H22FN3O2/c1-2-28-20-6-4-3-5-19(20)26-22(27)17-12-14-25-21(15-17)24-13-11-16-7-9-18(23)10-8-16/h3-10,12,14-15H,2,11,13H2,1H3,(H,24,25)(H,26,27)
InChIKeyCNFQUZAVWQBRPV-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172680
2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172626
N-(2-ethoxyphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide
CID 109177245
N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169864
N-(2-ethoxyphenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168105
2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109165599
1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258
N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172686
2-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109174876
6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109351052
4-N-(2-ethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092650
2-(4-acetylanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 109178114

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide (CID 109172694) is N-(2-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide is CCOc1ccccc1NC(=O)c1ccnc(NCCc2ccc(F)cc2)c1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide?
The InChIKey is CNFQUZAVWQBRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-2-28-20-6-4-3-5-19(20)26-22(27)17-12-14-25-21(15-17)24-13-11-16-7-9-18(23)10-8-16/h3-10,12,14-15H,2,11,13H2,1H3,(H,24,25)(H,26,27).
What are the key properties of N-(2-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide?
N-(2-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109172694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).