6-(azepan-4-ylamino)-N-ethylpyridazine-3-carboxamide

C13H21N5O — CID 107173544

IUPAC6-(azepan-4-ylamino)-N-ethylpyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(NC2CCCNCC2)nn1
InChIInChI=1S/C13H21N5O/c1-2-15-13(19)11-5-6-12(18-17-11)16-10-4-3-8-14-9-7-10/h5-6,10,14H,2-4,7-9H2,1H3,(H,15,19)(H,16,18)
InChIKeyAPYRGOUYXYWHBG-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.78
Rot. Bonds4

About 6-(azepan-4-ylamino)-N-ethylpyridazine-3-carboxamide

6-(azepan-4-ylamino)-N-ethylpyridazine-3-carboxamide (PubChem CID 107173544) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-(azepan-4-ylamino)-N-ethylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(azepan-4-ylamino)-N-ethylpyridazine-3-carboxamide
PubChem CID107173544
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name6-(azepan-4-ylamino)-N-ethylpyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(NC2CCCNCC2)nn1
InChIInChI=1S/C13H21N5O/c1-2-15-13(19)11-5-6-12(18-17-11)16-10-4-3-8-14-9-7-10/h5-6,10,14H,2-4,7-9H2,1H3,(H,15,19)(H,16,18)
InChIKeyAPYRGOUYXYWHBG-UHFFFAOYSA-N
XLogP0.78
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-(azepan-4-ylamino)-N-ethylpyridazine-3-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

6-(cyclopropylamino)-N-propylpyridazine-3-carboxamide
CID 109109200
6-[(3-ethoxycyclobutyl)amino]-N-ethylpyridazine-3-carboxamide
CID 102609175
6-(cyclohexylamino)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109112877
N-cyclopentyl-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112077
6-(cyclopentylamino)-N,N-diethylpyridazine-3-carboxamide
CID 109112142
6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109112095
N-ethyl-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridazine-3-carboxamide
CID 129330963
N-cyclohexyl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112809
6-(cyclopentylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109112110
N-butan-2-yl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109111540
6-(cycloheptylamino)-N-cyclopropylpyridazine-3-carboxamide
CID 109110063
6-(cyclohexylamino)-N,N-dipropylpyridazine-3-carboxamide
CID 109112883

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-4-ylamino)-N-ethylpyridazine-3-carboxamide?
The IUPAC name of 6-(azepan-4-ylamino)-N-ethylpyridazine-3-carboxamide (CID 107173544) is 6-(azepan-4-ylamino)-N-ethylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(azepan-4-ylamino)-N-ethylpyridazine-3-carboxamide?
The canonical SMILES for 6-(azepan-4-ylamino)-N-ethylpyridazine-3-carboxamide is CCNC(=O)c1ccc(NC2CCCNCC2)nn1.
What is the InChIKey of 6-(azepan-4-ylamino)-N-ethylpyridazine-3-carboxamide?
The InChIKey is APYRGOUYXYWHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-15-13(19)11-5-6-12(18-17-11)16-10-4-3-8-14-9-7-10/h5-6,10,14H,2-4,7-9H2,1H3,(H,15,19)(H,16,18).
What are the key properties of 6-(azepan-4-ylamino)-N-ethylpyridazine-3-carboxamide?
6-(azepan-4-ylamino)-N-ethylpyridazine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-4-ylamino)-N-ethylpyridazine-3-carboxamide is sourced from PubChem (CID 107173544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).