N-[2-(4-fluorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide

C19H22FN3O2 — CID 109167551

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccnc(NCC2CCCO2)c1
InChIInChI=1S/C19H22FN3O2/c20-16-5-3-14(4-6-16)7-9-22-19(24)15-8-10-21-18(12-15)23-13-17-2-1-11-25-17/h3-6,8,10,12,17H,1-2,7,9,11,13H2,(H,21,23)(H,22,24)
InChIKeyWZHOFDHRKMOUNX-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.78
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide

N-[2-(4-fluorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide (PubChem CID 109167551) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
PubChem CID109167551
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccnc(NCC2CCCO2)c1
InChIInChI=1S/C19H22FN3O2/c20-16-5-3-14(4-6-16)7-9-22-19(24)15-8-10-21-18(12-15)23-13-17-2-1-11-25-17/h3-6,8,10,12,17H,1-2,7,9,11,13H2,(H,21,23)(H,22,24)
InChIKeyWZHOFDHRKMOUNX-UHFFFAOYSA-N
XLogP2.78
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
CID 109167563
2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109083276
N-[2-(4-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
CID 109167576
2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252355
N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62185958
N-[2-(4-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9392189
N-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109206939
2-(oxolan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109167544
2-hydrazinyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 62237538
6-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343891
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 55014520

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide (CID 109167551) is N-[2-(4-fluorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide is O=C(NCCc1ccc(F)cc1)c1ccnc(NCC2CCCO2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide?
The InChIKey is WZHOFDHRKMOUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-16-5-3-14(4-6-16)7-9-22-19(24)15-8-10-21-18(12-15)23-13-17-2-1-11-25-17/h3-6,8,10,12,17H,1-2,7,9,11,13H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109167551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).