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

C18H12F2N4O3 — CID 5330824

IUPAC[2-amino-6-(3-nitroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone
SMILESNc1nc(Nc2cccc([N+](=O)[O-])c2)ccc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C18H12F2N4O3/c19-13-5-2-6-14(20)16(13)17(25)12-7-8-15(23-18(12)21)22-10-3-1-4-11(9-10)24(26)27/h1-9H,(H3,21,22,23)
InChIKeyNKYBNRJDVCSSHM-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.82
Rot. Bonds5

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

[2-amino-6-(3-nitroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone (PubChem CID 5330824) has the molecular formula C18H12F2N4O3 and a molecular weight of 370.32 g/mol. Its IUPAC name is [2-amino-6-(3-nitroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-6-(3-nitroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone
PubChem CID5330824
Molecular FormulaC18H12F2N4O3
Molecular Weight370.32 g/mol
Exact Mass370.09
IUPAC Name[2-amino-6-(3-nitroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone
SMILESNc1nc(Nc2cccc([N+](=O)[O-])c2)ccc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C18H12F2N4O3/c19-13-5-2-6-14(20)16(13)17(25)12-7-8-15(23-18(12)21)22-10-3-1-4-11(9-10)24(26)27/h1-9H,(H3,21,22,23)
InChIKeyNKYBNRJDVCSSHM-UHFFFAOYSA-N
XLogP3.82
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Vx-702
CID 10341154
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
3-Acyl-2,6-diaminopyridine deriv. 2b
CID 5330816
3-Acyl-2,6-diaminopyridine deriv. 2k
CID 5330825
3-Acyl-2,6-diaminopyridine deriv. 2n
CID 5330828
3-Acyl-2,6-diaminopyridine deriv. 2a
CID 5330815
3-Acyl-2,6-diaminopyridine deriv. 2e
CID 5330819
3-Acyl-2,6-diaminopyridine deriv. 2f
CID 5330820
3-Acyl-2,6-diaminopyridine deriv. 2g
CID 5330821
3-Acyl-2,6-diaminopyridine deriv. 2h
CID 5330822

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(3-nitroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [2-amino-6-(3-nitroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone (CID 5330824) is [2-amino-6-(3-nitroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [2-amino-6-(3-nitroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [2-amino-6-(3-nitroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone is Nc1nc(Nc2cccc([N+](=O)[O-])c2)ccc1C(=O)c1c(F)cccc1F.
What is the InChIKey of [2-amino-6-(3-nitroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone?
The InChIKey is NKYBNRJDVCSSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O3/c19-13-5-2-6-14(20)16(13)17(25)12-7-8-15(23-18(12)21)22-10-3-1-4-11(9-10)24(26)27/h1-9H,(H3,21,22,23).
What are the key properties of [2-amino-6-(3-nitroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone?
[2-amino-6-(3-nitroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone has a molecular weight of 370.32 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(3-nitroanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 5330824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).