N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-3-nitropyridin-2-amine

C23H18FN5O2 — CID 66962669

IUPACN-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NC(c1ccc(F)cc1)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C23H18FN5O2/c24-19-9-7-16(8-10-19)22(28-23-20(29(30)31)6-3-13-27-23)21(17-4-1-11-25-14-17)18-5-2-12-26-15-18/h1-15,21-22H,(H,27,28)
InChIKeyQIQLNNFUUOWYIZ-UHFFFAOYSA-N
MW415.43 g/mol
LogP4.90
Rot. Bonds7

About N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-3-nitropyridin-2-amine

N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-3-nitropyridin-2-amine (PubChem CID 66962669) has the molecular formula C23H18FN5O2 and a molecular weight of 415.43 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-3-nitropyridin-2-amine
PubChem CID66962669
Molecular FormulaC23H18FN5O2
Molecular Weight415.43 g/mol
Exact Mass415.14
IUPAC NameN-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NC(c1ccc(F)cc1)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C23H18FN5O2/c24-19-9-7-16(8-10-19)22(28-23-20(29(30)31)6-3-13-27-23)21(17-4-1-11-25-14-17)18-5-2-12-26-15-18/h1-15,21-22H,(H,27,28)
InChIKeyQIQLNNFUUOWYIZ-UHFFFAOYSA-N
XLogP4.90
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
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

2-[(3-nitro-2-pyridinyl)amino]-2-phenylacetic acid
CID 62110473
4-fluoro-2-nitro-N-(1-pyridin-3-ylethyl)aniline
CID 43222089
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-nitropyridin-2-amine
CID 26437363
N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126106016
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
N-methyl-3-nitropyridin-2-amine
CID 556349
1-(4-fluorophenyl)-1-[(3-nitro-2-pyridinyl)amino]urea
CID 22305425
N-[4-fluoro-2-(trifluoromethyl)phenyl]-3-nitropyridin-2-amine
CID 68572505
3-[1-[(3-nitro-2-pyridinyl)amino]ethyl]phenol
CID 51107792
1-(4-fluorophenoxy)-3-[(3-nitro-2-pyridinyl)amino]propan-2-ol
CID 47072410
2,3-difluoro-6-nitro-N-(1-pyridin-3-ylethyl)aniline
CID 62533475
N-(1-cyclohexylethyl)-3-nitropyridin-2-amine
CID 62406132

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-3-nitropyridin-2-amine?
The IUPAC name of N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-3-nitropyridin-2-amine (CID 66962669) is N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-3-nitropyridin-2-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-3-nitropyridin-2-amine is O=[N+]([O-])c1cccnc1NC(c1ccc(F)cc1)C(c1cccnc1)c1cccnc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-3-nitropyridin-2-amine?
The InChIKey is QIQLNNFUUOWYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2/c24-19-9-7-16(8-10-19)22(28-23-20(29(30)31)6-3-13-27-23)21(17-4-1-11-25-14-17)18-5-2-12-26-15-18/h1-15,21-22H,(H,27,28).
What are the key properties of N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-3-nitropyridin-2-amine?
N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-3-nitropyridin-2-amine has a molecular weight of 415.43 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 66962669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).