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

C23H24FN3O2 — CID 109214072

IUPAC4-[2-(2-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cc(NCCc2ccccc2F)ccn1
InChIInChI=1S/C23H24FN3O2/c1-16(2)29-22-10-6-5-9-20(22)27-23(28)21-15-18(12-14-26-21)25-13-11-17-7-3-4-8-19(17)24/h3-10,12,14-16H,11,13H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyJHTTZEBVYUHMCM-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.91
Rot. Bonds8

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

4-[2-(2-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide (PubChem CID 109214072) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
PubChem CID109214072
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name4-[2-(2-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cc(NCCc2ccccc2F)ccn1
InChIInChI=1S/C23H24FN3O2/c1-16(2)29-22-10-6-5-9-20(22)27-23(28)21-15-18(12-14-26-21)25-13-11-17-7-3-4-8-19(17)24/h3-10,12,14-16H,11,13H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyJHTTZEBVYUHMCM-UHFFFAOYSA-N
XLogP4.91
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109214232
4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109211753
N-(5-chloro-2-methoxyphenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214065
N-(2,6-difluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214096
N-(3-chloro-4-fluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214063
N-(4-chlorophenyl)-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214357
N-[3-(dimethylamino)propyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109207743
N-(2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62166215
N-(2-ethoxyphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201237
4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109221907
N-[(4-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109211790
N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109221912

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-[2-(2-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide (CID 109214072) is 4-[2-(2-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(2-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[2-(2-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide is CC(C)Oc1ccccc1NC(=O)c1cc(NCCc2ccccc2F)ccn1.
What is the InChIKey of 4-[2-(2-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The InChIKey is JHTTZEBVYUHMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-16(2)29-22-10-6-5-9-20(22)27-23(28)21-15-18(12-14-26-21)25-13-11-17-7-3-4-8-19(17)24/h3-10,12,14-16H,11,13H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 4-[2-(2-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide?
4-[2-(2-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109214072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).