N-(2-fluorophenyl)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide

C19H23FN6O2 — CID 140894118

IUPACN-(2-fluorophenyl)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)N(Cc2ccc(C(=O)NN)cn2)c2ccccc2F)CC1
InChIInChI=1S/C19H23FN6O2/c1-24-8-10-25(11-9-24)19(28)26(17-5-3-2-4-16(17)20)13-15-7-6-14(12-22-15)18(27)23-21/h2-7,12H,8-11,13,21H2,1H3,(H,23,27)
InChIKeyJKYACXOEWRBWGE-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.20
Rot. Bonds4

About N-(2-fluorophenyl)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide

N-(2-fluorophenyl)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide (PubChem CID 140894118) has the molecular formula C19H23FN6O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide
PubChem CID140894118
Molecular FormulaC19H23FN6O2
Molecular Weight386.43 g/mol
Exact Mass386.19
IUPAC NameN-(2-fluorophenyl)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)N(Cc2ccc(C(=O)NN)cn2)c2ccccc2F)CC1
InChIInChI=1S/C19H23FN6O2/c1-24-8-10-25(11-9-24)19(28)26(17-5-3-2-4-16(17)20)13-15-7-6-14(12-22-15)18(27)23-21/h2-7,12H,8-11,13,21H2,1H3,(H,23,27)
InChIKeyJKYACXOEWRBWGE-UHFFFAOYSA-N
XLogP1.20
TPSA94.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[(2-fluoro-N-(4-methylpiperazine-1-carbonyl)anilino)methyl]pyridine-3-carboxylate
CID 140894384
N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 134584348
6-[(3-fluoro-N-(4-methylpiperazine-1-carbonyl)anilino)methyl]pyridine-3-carboxylic acid
CID 134584721
N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-phenoxyphenyl)-1,4-thiazinane-4-carboxamide
CID 140894505
ethyl 6-[(3-fluoro-N-(4-methylpiperazine-1-carbonyl)anilino)methyl]pyridine-3-carboxylate
CID 140894509
N-(4-chlorophenyl)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]morpholine-4-carboxamide
CID 140894803
4-ethyl-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 134584295
N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide
CID 140894947
N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 134584865
methyl 6-[(N-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anilino)methyl]pyridine-3-carboxylate
CID 140894648
N-[[5-[[(2,2-difluoroacetyl)amino]carbamoyl]-2-pyridinyl]methyl]-N-(2-fluoro-4-methylphenyl)morpholine-4-carboxamide
CID 134584599
N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-sulfonamide
CID 126509045

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide (CID 140894118) is N-(2-fluorophenyl)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)N(Cc2ccc(C(=O)NN)cn2)c2ccccc2F)CC1.
What is the InChIKey of N-(2-fluorophenyl)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is JKYACXOEWRBWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O2/c1-24-8-10-25(11-9-24)19(28)26(17-5-3-2-4-16(17)20)13-15-7-6-14(12-22-15)18(27)23-21/h2-7,12H,8-11,13,21H2,1H3,(H,23,27).
What are the key properties of N-(2-fluorophenyl)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide?
N-(2-fluorophenyl)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 140894118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).