5-(4-cyclopropylimidazol-1-yl)-N-[6-(dihydrazinylmethyl)-2-pyridinyl]-2-fluoro-4-methylbenzamide

C20H23FN8O — CID 142472118

IUPAC5-(4-cyclopropylimidazol-1-yl)-N-[6-(dihydrazinylmethyl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(C(NN)NN)n2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C20H23FN8O/c1-11-7-14(21)13(8-17(11)29-9-16(24-10-29)12-5-6-12)20(30)26-18-4-2-3-15(25-18)19(27-22)28-23/h2-4,7-10,12,19,27-28H,5-6,22-23H2,1H3,(H,25,26,30)
InChIKeyDICFDIBUJLSIAB-UHFFFAOYSA-N
MW410.46 g/mol
LogP1.77
Rot. Bonds7

About 5-(4-cyclopropylimidazol-1-yl)-N-[6-(dihydrazinylmethyl)-2-pyridinyl]-2-fluoro-4-methylbenzamide

5-(4-cyclopropylimidazol-1-yl)-N-[6-(dihydrazinylmethyl)-2-pyridinyl]-2-fluoro-4-methylbenzamide (PubChem CID 142472118) has the molecular formula C20H23FN8O and a molecular weight of 410.46 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-N-[6-(dihydrazinylmethyl)-2-pyridinyl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name5-(4-cyclopropylimidazol-1-yl)-N-[6-(dihydrazinylmethyl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
PubChem CID142472118
Molecular FormulaC20H23FN8O
Molecular Weight410.46 g/mol
Exact Mass410.20
IUPAC Name5-(4-cyclopropylimidazol-1-yl)-N-[6-(dihydrazinylmethyl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(C(NN)NN)n2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C20H23FN8O/c1-11-7-14(21)13(8-17(11)29-9-16(24-10-29)12-5-6-12)20(30)26-18-4-2-3-15(25-18)19(27-22)28-23/h2-4,7-10,12,19,27-28H,5-6,22-23H2,1H3,(H,25,26,30)
InChIKeyDICFDIBUJLSIAB-UHFFFAOYSA-N
XLogP1.77
TPSA135.91 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 51.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(Z)-N'-hydrazinylcarbamimidoyl]-2-pyridinyl]-4-methylbenzamide;ethane;molecular hydrogen
CID 142472152
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 71245288
5-(4-cyclopropylimidazol-1-yl)-N-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
CID 142417486
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)-2-pyridinyl]benzamide
CID 142472165
6-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide
CID 155148594
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[1-[(2S)-1-fluoropropan-2-yl]imidazol-2-yl]-2-pyridinyl]-4-methylbenzamide
CID 158056694
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5R)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 159386012
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 159386013
(E)-but-2-enedioic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 121439236
5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
CID 160540581
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide
CID 142417497
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[4-[(2S)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 71245263

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-N-[6-(dihydrazinylmethyl)-2-pyridinyl]-2-fluoro-4-methylbenzamide?
The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-N-[6-(dihydrazinylmethyl)-2-pyridinyl]-2-fluoro-4-methylbenzamide (CID 142472118) is 5-(4-cyclopropylimidazol-1-yl)-N-[6-(dihydrazinylmethyl)-2-pyridinyl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for 5-(4-cyclopropylimidazol-1-yl)-N-[6-(dihydrazinylmethyl)-2-pyridinyl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-N-[6-(dihydrazinylmethyl)-2-pyridinyl]-2-fluoro-4-methylbenzamide is Cc1cc(F)c(C(=O)Nc2cccc(C(NN)NN)n2)cc1-n1cnc(C2CC2)c1.
What is the InChIKey of 5-(4-cyclopropylimidazol-1-yl)-N-[6-(dihydrazinylmethyl)-2-pyridinyl]-2-fluoro-4-methylbenzamide?
The InChIKey is DICFDIBUJLSIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN8O/c1-11-7-14(21)13(8-17(11)29-9-16(24-10-29)12-5-6-12)20(30)26-18-4-2-3-15(25-18)19(27-22)28-23/h2-4,7-10,12,19,27-28H,5-6,22-23H2,1H3,(H,25,26,30).
What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-N-[6-(dihydrazinylmethyl)-2-pyridinyl]-2-fluoro-4-methylbenzamide?
5-(4-cyclopropylimidazol-1-yl)-N-[6-(dihydrazinylmethyl)-2-pyridinyl]-2-fluoro-4-methylbenzamide has a molecular weight of 410.46 g/mol, XLogP of 1.77, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylimidazol-1-yl)-N-[6-(dihydrazinylmethyl)-2-pyridinyl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 142472118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).