2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C18H20FN3O2 — CID 3201364

IUPAC2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cccnc1NCc1ccc(F)cc1
InChIInChI=1S/C18H20FN3O2/c19-14-7-5-13(6-8-14)11-21-17-16(4-1-9-20-17)18(23)22-12-15-3-2-10-24-15/h1,4-9,15H,2-3,10-12H2,(H,20,21)(H,22,23)
InChIKeySMJMNZUWMTYTII-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.74
Rot. Bonds6

About 2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 3201364) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID3201364
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cccnc1NCc1ccc(F)cc1
InChIInChI=1S/C18H20FN3O2/c19-14-7-5-13(6-8-14)11-21-17-16(4-1-9-20-17)18(23)22-12-15-3-2-10-24-15/h1,4-9,15H,2-3,10-12H2,(H,20,21)(H,22,23)
InChIKeySMJMNZUWMTYTII-UHFFFAOYSA-N
XLogP2.74
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
2-Imino-5-oxo-1-(3-pyridinylmethyl)-N-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide
CID 646508
(2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide
CID 146637371
6-(Benzylamino)pyridine-3-carboxamide
CID 3031427
2-(4-phenylbutyl)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 135899247
N-cyclopentyl{8-methyl-5-oxo-2-[(oxolan-2-ylmethyl)amino](6-hydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl)}carboxamide
CID 3162243
[2-Oxo-2-(prop-2-enylamino)ethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 2544910
4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 11327582
6-(3-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44569925
6-[2-fluoro-3-(trifluoromethyl)anilino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570119
6-(3-fluoroanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 44570574
2-(2-o-Tolyl-ethoxymethyl)-3h-pyrido[2,3-d]pyrimidin-4-one
CID 135899153

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 3201364) is 2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCCO1)c1cccnc1NCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is SMJMNZUWMTYTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-14-7-5-13(6-8-14)11-21-17-16(4-1-9-20-17)18(23)22-12-15-3-2-10-24-15/h1,4-9,15H,2-3,10-12H2,(H,20,21)(H,22,23).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 3201364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).