N-pyridazin-3-ylazepane-2-carboxamide

C11H16N4O — CID 116786808

IUPACN-pyridazin-3-ylazepane-2-carboxamide
SMILESO=C(Nc1cccnn1)C1CCCCCN1
InChIInChI=1S/C11H16N4O/c16-11(9-5-2-1-3-7-12-9)14-10-6-4-8-13-15-10/h4,6,8-9,12H,1-3,5,7H2,(H,14,15,16)
InChIKeyJRRUUEGSJPFIDT-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.95
Rot. Bonds2

About N-pyridazin-3-ylazepane-2-carboxamide

N-pyridazin-3-ylazepane-2-carboxamide (PubChem CID 116786808) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-pyridazin-3-ylazepane-2-carboxamide.

Molecular Properties

Compound NameN-pyridazin-3-ylazepane-2-carboxamide
PubChem CID116786808
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-pyridazin-3-ylazepane-2-carboxamide
SMILESO=C(Nc1cccnn1)C1CCCCCN1
InChIInChI=1S/C11H16N4O/c16-11(9-5-2-1-3-7-12-9)14-10-6-4-8-13-15-10/h4,6,8-9,12H,1-3,5,7H2,(H,14,15,16)
InChIKeyJRRUUEGSJPFIDT-UHFFFAOYSA-N
XLogP0.95
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-pyridazin-3-ylazepane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-pyridazin-3-ylpyrrolidine-2-carboxamide
CID 104901521
(2S)-N-pyridin-2-ylpiperidine-2-carboxamide
CID 103813189
(2R)-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 103813190
N-pyridin-4-ylazocane-2-carboxamide
CID 114240041
N-(6-chloropyridazin-3-yl)pyrrolidine-2-carboxamide
CID 115626531
(2S)-N-(6-acetamido-2-pyridinyl)pyrrolidine-2-carboxamide
CID 102178535
[4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119879739
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101
N-(6-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
CID 79946508
N-[2-(dimethylamino)-3-pyridinyl]azepane-2-carboxamide
CID 64563799
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
N-(2,6-dimethylphenyl)azepane-2-carboxamide
CID 64562214

Frequently Asked Questions

What is the IUPAC name of N-pyridazin-3-ylazepane-2-carboxamide?
The IUPAC name of N-pyridazin-3-ylazepane-2-carboxamide (CID 116786808) is N-pyridazin-3-ylazepane-2-carboxamide.
What is the SMILES notation for N-pyridazin-3-ylazepane-2-carboxamide?
The canonical SMILES for N-pyridazin-3-ylazepane-2-carboxamide is O=C(Nc1cccnn1)C1CCCCCN1.
What is the InChIKey of N-pyridazin-3-ylazepane-2-carboxamide?
The InChIKey is JRRUUEGSJPFIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c16-11(9-5-2-1-3-7-12-9)14-10-6-4-8-13-15-10/h4,6,8-9,12H,1-3,5,7H2,(H,14,15,16).
What are the key properties of N-pyridazin-3-ylazepane-2-carboxamide?
N-pyridazin-3-ylazepane-2-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-3-ylazepane-2-carboxamide is sourced from PubChem (CID 116786808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).