N'-(3-fluoro-5-piperidin-1-ylbenzoyl)-2-methylpyridine-3-carbohydrazide

C19H21FN4O2 — CID 69461231

IUPACN'-(3-fluoro-5-piperidin-1-ylbenzoyl)-2-methylpyridine-3-carbohydrazide
SMILESCc1ncccc1C(=O)NNC(=O)c1cc(F)cc(N2CCCCC2)c1
InChIInChI=1S/C19H21FN4O2/c1-13-17(6-5-7-21-13)19(26)23-22-18(25)14-10-15(20)12-16(11-14)24-8-3-2-4-9-24/h5-7,10-12H,2-4,8-9H2,1H3,(H,22,25)(H,23,26)
InChIKeyIFWFQBNBSKGYPN-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.59
Rot. Bonds3

About N'-(3-fluoro-5-piperidin-1-ylbenzoyl)-2-methylpyridine-3-carbohydrazide

N'-(3-fluoro-5-piperidin-1-ylbenzoyl)-2-methylpyridine-3-carbohydrazide (PubChem CID 69461231) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is N'-(3-fluoro-5-piperidin-1-ylbenzoyl)-2-methylpyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-fluoro-5-piperidin-1-ylbenzoyl)-2-methylpyridine-3-carbohydrazide
PubChem CID69461231
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC NameN'-(3-fluoro-5-piperidin-1-ylbenzoyl)-2-methylpyridine-3-carbohydrazide
SMILESCc1ncccc1C(=O)NNC(=O)c1cc(F)cc(N2CCCCC2)c1
InChIInChI=1S/C19H21FN4O2/c1-13-17(6-5-7-21-13)19(26)23-22-18(25)14-10-15(20)12-16(11-14)24-8-3-2-4-9-24/h5-7,10-12H,2-4,8-9H2,1H3,(H,22,25)(H,23,26)
InChIKeyIFWFQBNBSKGYPN-UHFFFAOYSA-N
XLogP2.59
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoro-5-piperidin-1-ylbenzoyl)-2-methylpyridine-3-carbohydrazide?
The IUPAC name of N'-(3-fluoro-5-piperidin-1-ylbenzoyl)-2-methylpyridine-3-carbohydrazide (CID 69461231) is N'-(3-fluoro-5-piperidin-1-ylbenzoyl)-2-methylpyridine-3-carbohydrazide.
What is the SMILES notation for N'-(3-fluoro-5-piperidin-1-ylbenzoyl)-2-methylpyridine-3-carbohydrazide?
The canonical SMILES for N'-(3-fluoro-5-piperidin-1-ylbenzoyl)-2-methylpyridine-3-carbohydrazide is Cc1ncccc1C(=O)NNC(=O)c1cc(F)cc(N2CCCCC2)c1.
What is the InChIKey of N'-(3-fluoro-5-piperidin-1-ylbenzoyl)-2-methylpyridine-3-carbohydrazide?
The InChIKey is IFWFQBNBSKGYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-13-17(6-5-7-21-13)19(26)23-22-18(25)14-10-15(20)12-16(11-14)24-8-3-2-4-9-24/h5-7,10-12H,2-4,8-9H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-(3-fluoro-5-piperidin-1-ylbenzoyl)-2-methylpyridine-3-carbohydrazide?
N'-(3-fluoro-5-piperidin-1-ylbenzoyl)-2-methylpyridine-3-carbohydrazide has a molecular weight of 356.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoro-5-piperidin-1-ylbenzoyl)-2-methylpyridine-3-carbohydrazide is sourced from PubChem (CID 69461231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).