N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide

C21H24ClFN4O2 — CID 140666600

IUPACN'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide
SMILESCCC(NNC(=O)C1CCCC1)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F
InChIInChI=1S/C21H24ClFN4O2/c1-2-16(26-27-21(29)12-5-3-4-6-12)14-8-9-15(22)18(19(14)23)20(28)13-7-10-17(24)25-11-13/h7-12,16,26H,2-6H2,1H3,(H2,24,25)(H,27,29)
InChIKeyOLFHUWOKMZFBFG-UHFFFAOYSA-N
MW418.90 g/mol
LogP3.95
Rot. Bonds7

About N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide

N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide (PubChem CID 140666600) has the molecular formula C21H24ClFN4O2 and a molecular weight of 418.90 g/mol. Its IUPAC name is N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide.

Molecular Properties

Compound NameN'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide
PubChem CID140666600
Molecular FormulaC21H24ClFN4O2
Molecular Weight418.90 g/mol
Exact Mass418.16
IUPAC NameN'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide
SMILESCCC(NNC(=O)C1CCCC1)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F
InChIInChI=1S/C21H24ClFN4O2/c1-2-16(26-27-21(29)12-5-3-4-6-12)14-8-9-15(22)18(19(14)23)20(28)13-7-10-17(24)25-11-13/h7-12,16,26H,2-6H2,1H3,(H2,24,25)(H,27,29)
InChIKeyOLFHUWOKMZFBFG-UHFFFAOYSA-N
XLogP3.95
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide?
The IUPAC name of N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide (CID 140666600) is N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide.
What is the SMILES notation for N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide?
The canonical SMILES for N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide is CCC(NNC(=O)C1CCCC1)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F.
What is the InChIKey of N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide?
The InChIKey is OLFHUWOKMZFBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN4O2/c1-2-16(26-27-21(29)12-5-3-4-6-12)14-8-9-15(22)18(19(14)23)20(28)13-7-10-17(24)25-11-13/h7-12,16,26H,2-6H2,1H3,(H2,24,25)(H,27,29).
What are the key properties of N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide?
N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide has a molecular weight of 418.90 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]cyclopentanecarbohydrazide is sourced from PubChem (CID 140666600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).