3-fluoro-N-[6-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine

C19H21FN6O3 — CID 67995322

IUPAC3-fluoro-N-[6-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine
SMILESCC1=NCCN1c1ccc([N+](=O)[O-])c(N(c2ccccc2)N2CCOCC2F)n1
InChIInChI=1S/C19H21FN6O3/c1-14-21-9-10-23(14)18-8-7-16(26(27)28)19(22-18)25(15-5-3-2-4-6-15)24-11-12-29-13-17(24)20/h2-8,17H,9-13H2,1H3
InChIKeyCVPCTPHCGVUHOX-UHFFFAOYSA-N
MW400.41 g/mol
LogP2.91
Rot. Bonds5

About 3-fluoro-N-[6-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine

3-fluoro-N-[6-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine (PubChem CID 67995322) has the molecular formula C19H21FN6O3 and a molecular weight of 400.41 g/mol. Its IUPAC name is 3-fluoro-N-[6-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine.

Molecular Properties

Compound Name3-fluoro-N-[6-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine
PubChem CID67995322
Molecular FormulaC19H21FN6O3
Molecular Weight400.41 g/mol
Exact Mass400.17
IUPAC Name3-fluoro-N-[6-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine
SMILESCC1=NCCN1c1ccc([N+](=O)[O-])c(N(c2ccccc2)N2CCOCC2F)n1
InChIInChI=1S/C19H21FN6O3/c1-14-21-9-10-23(14)18-8-7-16(26(27)28)19(22-18)25(15-5-3-2-4-6-15)24-11-12-29-13-17(24)20/h2-8,17H,9-13H2,1H3
InChIKeyCVPCTPHCGVUHOX-UHFFFAOYSA-N
XLogP2.91
TPSA87.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[6-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitro-2-pyridinyl]-N-phenylthiomorpholin-4-amine
CID 67995522
3-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-nitro-2-pyridinyl]-N-phenylthiomorpholin-4-amine
CID 67994960
N-[6-(4-aminopiperidin-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine
CID 123204141
4-(5-nitro-6-phenyl-2-pyridinyl)morpholine
CID 133407232
1-[2-fluoro-4-[[6-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitro-2-pyridinyl]amino]phenyl]piperidin-4-ol
CID 67994687
4-(6-amino-5-nitro-2-pyridinyl)-N-methylmorpholine-3-carboxamide
CID 83105439
4-(6-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxamide
CID 133452657
4-[(5-methyl-2-nitrophenyl)methyl]-3-phenylmorpholine
CID 167983870
6-N-(3-imidazol-1-ylpropyl)-2-N-morpholin-4-yl-3-nitro-2-N-phenylpyridine-2,6-diamine
CID 123232527
6-hydrazinyl-N-methyl-3-nitro-N-(oxolan-3-yl)pyridin-2-amine
CID 82747704
6-(N-methylanilino)-5-nitropyridine-2-carboxylic acid
CID 114403394
N-(1-benzylpiperidin-4-yl)-6-fluoro-N-methyl-3-nitropyridin-2-amine
CID 10617412

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine?
The IUPAC name of 3-fluoro-N-[6-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine (CID 67995322) is 3-fluoro-N-[6-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine.
What is the SMILES notation for 3-fluoro-N-[6-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine?
The canonical SMILES for 3-fluoro-N-[6-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine is CC1=NCCN1c1ccc([N+](=O)[O-])c(N(c2ccccc2)N2CCOCC2F)n1.
What is the InChIKey of 3-fluoro-N-[6-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine?
The InChIKey is CVPCTPHCGVUHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O3/c1-14-21-9-10-23(14)18-8-7-16(26(27)28)19(22-18)25(15-5-3-2-4-6-15)24-11-12-29-13-17(24)20/h2-8,17H,9-13H2,1H3.
What are the key properties of 3-fluoro-N-[6-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine?
3-fluoro-N-[6-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine has a molecular weight of 400.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitro-2-pyridinyl]-N-phenylmorpholin-4-amine is sourced from PubChem (CID 67995322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).