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

C18H20FN3O2 — CID 109206922

IUPACN-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc(NCC2CCCO2)ccn1
InChIInChI=1S/C18H20FN3O2/c19-16-6-2-1-4-13(16)11-22-18(23)17-10-14(7-8-20-17)21-12-15-5-3-9-24-15/h1-2,4,6-8,10,15H,3,5,9,11-12H2,(H,20,21)(H,22,23)
InChIKeyJEXZGFAHDKZQKJ-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.74
Rot. Bonds6

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

N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109206922) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
PubChem CID109206922
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc(NCC2CCCO2)ccn1
InChIInChI=1S/C18H20FN3O2/c19-16-6-2-1-4-13(16)11-22-18(23)17-10-14(7-8-20-17)21-12-15-5-3-9-24-15/h1-2,4,6-8,10,15H,3,5,9,11-12H2,(H,20,21)(H,22,23)
InChIKeyJEXZGFAHDKZQKJ-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

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Related Compounds

N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114812
5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184938
4-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62173174
4-(benzylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109209769
4-N-[(2-methylphenyl)methyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083260
N-[(2-fluorophenyl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62247959
N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185117
N-[(2-methylphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185110
N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109206754
4-N-cyclopentyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109080710
N-[(2-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343712
N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109211160

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide (CID 109206922) is N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide is O=C(NCc1ccccc1F)c1cc(NCC2CCCO2)ccn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is JEXZGFAHDKZQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-16-6-2-1-4-13(16)11-22-18(23)17-10-14(7-8-20-17)21-12-15-5-3-9-24-15/h1-2,4,6-8,10,15H,3,5,9,11-12H2,(H,20,21)(H,22,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethylamino)pyridine-2-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 N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109206922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).