N-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide

C25H21N5O3 — CID 4801871

IUPACN-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C25H21N5O3/c31-23(13-15-27-24(32)17-8-2-1-3-9-17)29-30-25(33)19-16-22(21-12-6-7-14-26-21)28-20-11-5-4-10-18(19)20/h1-12,14,16H,13,15H2,(H,27,32)(H,29,31)(H,30,33)
InChIKeyDPDOKRYGZHHSIU-UHFFFAOYSA-N
MW439.48 g/mol
LogP2.88
Rot. Bonds6

About N-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide

N-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide (PubChem CID 4801871) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is N-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide
PubChem CID4801871
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC NameN-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C25H21N5O3/c31-23(13-15-27-24(32)17-8-2-1-3-9-17)29-30-25(33)19-16-22(21-12-6-7-14-26-21)28-20-11-5-4-10-18(19)20/h1-12,14,16H,13,15H2,(H,27,32)(H,29,31)(H,30,33)
InChIKeyDPDOKRYGZHHSIU-UHFFFAOYSA-N
XLogP2.88
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 52.88
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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Related Compounds

N-[4-oxo-4-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]butyl]thiophene-3-carboxamide
CID 30454501
N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 26775333
N'-(2-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 42386438
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
2-pyridin-2-yl-N'-(2-thiophen-2-ylacetyl)quinoline-4-carbohydrazide
CID 40599644
N'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 4963799
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672
N'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 27680084
N'-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 55685382
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757634
N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 3611934

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide?
The IUPAC name of N-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide (CID 4801871) is N-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide.
What is the SMILES notation for N-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide?
The canonical SMILES for N-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide is O=C(CCNC(=O)c1ccccc1)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide?
The InChIKey is DPDOKRYGZHHSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c31-23(13-15-27-24(32)17-8-2-1-3-9-17)29-30-25(33)19-16-22(21-12-6-7-14-26-21)28-20-11-5-4-10-18(19)20/h1-12,14,16H,13,15H2,(H,27,32)(H,29,31)(H,30,33).
What are the key properties of N-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide?
N-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide has a molecular weight of 439.48 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide is sourced from PubChem (CID 4801871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).