5-[3-[(2,4-difluorophenyl)methylamino]butyl]pyridine-3-carboxamide

C17H19F2N3O — CID 173160059

IUPAC5-[3-[(2,4-difluorophenyl)methylamino]butyl]pyridine-3-carboxamide
SMILESCC(CCc1cncc(C(N)=O)c1)NCc1ccc(F)cc1F
InChIInChI=1S/C17H19F2N3O/c1-11(22-10-13-4-5-15(18)7-16(13)19)2-3-12-6-14(17(20)23)9-21-8-12/h4-9,11,22H,2-3,10H2,1H3,(H2,20,23)
InChIKeyPGLXIWQNHZBAME-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.57
Rot. Bonds7

About 5-[3-[(2,4-difluorophenyl)methylamino]butyl]pyridine-3-carboxamide

5-[3-[(2,4-difluorophenyl)methylamino]butyl]pyridine-3-carboxamide (PubChem CID 173160059) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-[3-[(2,4-difluorophenyl)methylamino]butyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-[(2,4-difluorophenyl)methylamino]butyl]pyridine-3-carboxamide
PubChem CID173160059
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name5-[3-[(2,4-difluorophenyl)methylamino]butyl]pyridine-3-carboxamide
SMILESCC(CCc1cncc(C(N)=O)c1)NCc1ccc(F)cc1F
InChIInChI=1S/C17H19F2N3O/c1-11(22-10-13-4-5-15(18)7-16(13)19)2-3-12-6-14(17(20)23)9-21-8-12/h4-9,11,22H,2-3,10H2,1H3,(H2,20,23)
InChIKeyPGLXIWQNHZBAME-UHFFFAOYSA-N
XLogP2.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(2,4-difluorophenyl)butan-2-ylamino]methyl]benzoic acid
CID 122036055
N-[(2,4-difluorophenyl)methyl]pentan-2-amine
CID 43177713
N-carbamoyl-2-[(2,4-difluorophenyl)methylamino]propanamide
CID 55037642
3-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzamide
CID 63011266
N-[(2,4-difluorophenyl)methyl]butan-2-amine
CID 43177291
2-[(2,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057403
4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide
CID 43199111
4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide
CID 119122196
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119280925
4-fluoro-3-[(6-methylheptan-2-ylamino)methyl]benzamide
CID 61469454
4-[4-(2,4-difluorophenyl)butan-2-ylamino]butanoic acid
CID 122035922
4-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-3-fluorobenzamide
CID 81375322

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2,4-difluorophenyl)methylamino]butyl]pyridine-3-carboxamide?
The IUPAC name of 5-[3-[(2,4-difluorophenyl)methylamino]butyl]pyridine-3-carboxamide (CID 173160059) is 5-[3-[(2,4-difluorophenyl)methylamino]butyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-[(2,4-difluorophenyl)methylamino]butyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[3-[(2,4-difluorophenyl)methylamino]butyl]pyridine-3-carboxamide is CC(CCc1cncc(C(N)=O)c1)NCc1ccc(F)cc1F.
What is the InChIKey of 5-[3-[(2,4-difluorophenyl)methylamino]butyl]pyridine-3-carboxamide?
The InChIKey is PGLXIWQNHZBAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-11(22-10-13-4-5-15(18)7-16(13)19)2-3-12-6-14(17(20)23)9-21-8-12/h4-9,11,22H,2-3,10H2,1H3,(H2,20,23).
What are the key properties of 5-[3-[(2,4-difluorophenyl)methylamino]butyl]pyridine-3-carboxamide?
5-[3-[(2,4-difluorophenyl)methylamino]butyl]pyridine-3-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2,4-difluorophenyl)methylamino]butyl]pyridine-3-carboxamide is sourced from PubChem (CID 173160059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).