(3-amino-2-pyridin-3-yl-4-pyridinyl)-(2,4-difluorophenyl)methanone

C17H11F2N3O — CID 24744186

IUPAC(3-amino-2-pyridin-3-yl-4-pyridinyl)-(2,4-difluorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(F)cc2F)ccnc1-c1cccnc1
InChIInChI=1S/C17H11F2N3O/c18-11-3-4-12(14(19)8-11)17(23)13-5-7-22-16(15(13)20)10-2-1-6-21-9-10/h1-9H,20H2
InChIKeyFTIGUHYPJHBLJB-UHFFFAOYSA-N
MW311.29 g/mol
LogP3.23
Rot. Bonds3

About (3-amino-2-pyridin-3-yl-4-pyridinyl)-(2,4-difluorophenyl)methanone

(3-amino-2-pyridin-3-yl-4-pyridinyl)-(2,4-difluorophenyl)methanone (PubChem CID 24744186) has the molecular formula C17H11F2N3O and a molecular weight of 311.29 g/mol. Its IUPAC name is (3-amino-2-pyridin-3-yl-4-pyridinyl)-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-2-pyridin-3-yl-4-pyridinyl)-(2,4-difluorophenyl)methanone
PubChem CID24744186
Molecular FormulaC17H11F2N3O
Molecular Weight311.29 g/mol
Exact Mass311.09
IUPAC Name(3-amino-2-pyridin-3-yl-4-pyridinyl)-(2,4-difluorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(F)cc2F)ccnc1-c1cccnc1
InChIInChI=1S/C17H11F2N3O/c18-11-3-4-12(14(19)8-11)17(23)13-5-7-22-16(15(13)20)10-2-1-6-21-9-10/h1-9H,20H2
InChIKeyFTIGUHYPJHBLJB-UHFFFAOYSA-N
XLogP3.23
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,10-Phenanthroline-5,6-dione
CID 72810
Ethanedione, di-3-pyridinyl-
CID 260384
2-(2-(2-Fluorophenyl)pyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 11992146
7-Amino-2-(pyridin-2-yl)quinoline-5,8-dione
CID 21771691
2-fluoro-9-oxo-N-[2-(pyridin-2-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748525
3-[4-(Trifluoromethyl)phenyl]quinoxaline-5-carboxamide
CID 9922953
n-(2-Aminophenyl)-4-{5-[(4-ethylpiperazin-1-yl)methyl]-3-fluoropyridin-2-yl}benzamide
CID 11683474
2-Amino-5-(4-fluorophenyl)-3-(pyridin-4-yl)benzamide
CID 16048303
Pyrrolopyridine, 24
CID 16720095
Pyrrolopyridine, 25
CID 16720200
Aminopyridine N-oxide, 47
CID 16725338
Aminopyridine N-oxide, 49
CID 24745286

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-pyridin-3-yl-4-pyridinyl)-(2,4-difluorophenyl)methanone?
The IUPAC name of (3-amino-2-pyridin-3-yl-4-pyridinyl)-(2,4-difluorophenyl)methanone (CID 24744186) is (3-amino-2-pyridin-3-yl-4-pyridinyl)-(2,4-difluorophenyl)methanone.
What is the SMILES notation for (3-amino-2-pyridin-3-yl-4-pyridinyl)-(2,4-difluorophenyl)methanone?
The canonical SMILES for (3-amino-2-pyridin-3-yl-4-pyridinyl)-(2,4-difluorophenyl)methanone is Nc1c(C(=O)c2ccc(F)cc2F)ccnc1-c1cccnc1.
What is the InChIKey of (3-amino-2-pyridin-3-yl-4-pyridinyl)-(2,4-difluorophenyl)methanone?
The InChIKey is FTIGUHYPJHBLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O/c18-11-3-4-12(14(19)8-11)17(23)13-5-7-22-16(15(13)20)10-2-1-6-21-9-10/h1-9H,20H2.
What are the key properties of (3-amino-2-pyridin-3-yl-4-pyridinyl)-(2,4-difluorophenyl)methanone?
(3-amino-2-pyridin-3-yl-4-pyridinyl)-(2,4-difluorophenyl)methanone has a molecular weight of 311.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-pyridin-3-yl-4-pyridinyl)-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 24744186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).