N-(3,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide

C17H13F2N3O2 — CID 109231628

IUPACN-(3,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cncc(NCc2ccco2)c1
InChIInChI=1S/C17H13F2N3O2/c18-15-4-3-12(7-16(15)19)22-17(23)11-6-13(9-20-8-11)21-10-14-2-1-5-24-14/h1-9,21H,10H2,(H,22,23)
InChIKeyCCCNBBNKBGOKLZ-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.82
Rot. Bonds5

About N-(3,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide

N-(3,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109231628) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
PubChem CID109231628
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-(3,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cncc(NCc2ccco2)c1
InChIInChI=1S/C17H13F2N3O2/c18-15-4-3-12(7-16(15)19)22-17(23)11-6-13(9-20-8-11)21-10-14-2-1-5-24-14/h1-9,21H,10H2,(H,22,23)
InChIKeyCCCNBBNKBGOKLZ-UHFFFAOYSA-N
XLogP3.82
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231615
N-(2,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231606
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231602
N-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231586
5-(furan-2-ylmethylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109231563
5-(furan-2-ylmethylamino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109231569
ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate
CID 109231605
N-(3,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109235200
3,4-difluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113026285
5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109231573
5-(furan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109231475
N-(2-ethylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231536

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide (CID 109231628) is N-(3,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cncc(NCc2ccco2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is CCCNBBNKBGOKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c18-15-4-3-12(7-16(15)19)22-17(23)11-6-13(9-20-8-11)21-10-14-2-1-5-24-14/h1-9,21H,10H2,(H,22,23).
What are the key properties of N-(3,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide?
N-(3,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 329.31 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109231628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).