[2-amino-6-(3-chloroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone

C18H12ClF2N3O — CID 5330825

IUPAC[2-amino-6-(3-chloroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone
SMILESNc1nc(Nc2cccc(Cl)c2)ccc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C18H12ClF2N3O/c19-10-3-1-4-11(9-10)23-15-8-7-12(18(22)24-15)17(25)16-13(20)5-2-6-14(16)21/h1-9H,(H3,22,23,24)
InChIKeyXWUSVGLBXSKHNH-UHFFFAOYSA-N
MW359.76 g/mol
LogP4.57
Rot. Bonds4

About [2-amino-6-(3-chloroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone

[2-amino-6-(3-chloroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone (PubChem CID 5330825) has the molecular formula C18H12ClF2N3O and a molecular weight of 359.76 g/mol. Its IUPAC name is [2-amino-6-(3-chloroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-6-(3-chloroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone
PubChem CID5330825
Molecular FormulaC18H12ClF2N3O
Molecular Weight359.76 g/mol
Exact Mass359.06
IUPAC Name[2-amino-6-(3-chloroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone
SMILESNc1nc(Nc2cccc(Cl)c2)ccc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C18H12ClF2N3O/c19-10-3-1-4-11(9-10)23-15-8-7-12(18(22)24-15)17(25)16-13(20)5-2-6-14(16)21/h1-9H,(H3,22,23,24)
InChIKeyXWUSVGLBXSKHNH-UHFFFAOYSA-N
XLogP4.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.76
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-Chloro-4-hydroxy-2-phenyl-1,8-naphthyridine
CID 6105572
3-Acyl-2,6-diaminopyridine deriv. 2c
CID 5330817
3-Acyl-2,6-diaminopyridine deriv. 2l
CID 5330826
3-Acyl-2,6-diaminopyridine deriv. 2m
CID 5330827
10-(3-chlorophenyl)-6,8,9,10-tetrahydrobenzo(b)(1,8)-naphthyridine-5(7H)-one
CID 184227
3-Acyl-2,6-diaminopyridine deriv. 2b
CID 5330816
3-Acyl-2,6-diaminopyridine deriv. 2j
CID 5330824
3-Acyl-2,6-diaminopyridine deriv. 2n
CID 5330828
3-Acyl-2,6-diaminopyridine deriv. 3a
CID 5330840
3-Acyl-2,6-diaminopyridine deriv. 3b
CID 5330841
N,N'-2,6-pyridinediylbis(4-chlorobenzamide)
CID 2837061
7-Amino-2-phenyl-[1,8]naphthyridin-4-ol
CID 14686958

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(3-chloroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [2-amino-6-(3-chloroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone (CID 5330825) is [2-amino-6-(3-chloroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [2-amino-6-(3-chloroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [2-amino-6-(3-chloroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone is Nc1nc(Nc2cccc(Cl)c2)ccc1C(=O)c1c(F)cccc1F.
What is the InChIKey of [2-amino-6-(3-chloroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone?
The InChIKey is XWUSVGLBXSKHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N3O/c19-10-3-1-4-11(9-10)23-15-8-7-12(18(22)24-15)17(25)16-13(20)5-2-6-14(16)21/h1-9H,(H3,22,23,24).
What are the key properties of [2-amino-6-(3-chloroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone?
[2-amino-6-(3-chloroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone has a molecular weight of 359.76 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(3-chloroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 5330825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).