6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide

C17H21N5O — CID 109120839

IUPAC6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(N2CCCCCC2)nn1
InChIInChI=1S/C17H21N5O/c23-17(19-13-14-7-3-4-10-18-14)15-8-9-16(21-20-15)22-11-5-1-2-6-12-22/h3-4,7-10H,1-2,5-6,11-13H2,(H,19,23)
InChIKeyNUUVWSSKGOAWEP-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.18
Rot. Bonds4

About 6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide

6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 109120839) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID109120839
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(N2CCCCCC2)nn1
InChIInChI=1S/C17H21N5O/c23-17(19-13-14-7-3-4-10-18-14)15-8-9-16(21-20-15)22-11-5-1-2-6-12-22/h3-4,7-10H,1-2,5-6,11-13H2,(H,19,23)
InChIKeyNUUVWSSKGOAWEP-UHFFFAOYSA-N
XLogP2.18
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109116789
6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109116486
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109204576
6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109112480
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121028016
1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 50771156
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 122264045
N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109109270
2-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 110648259
N-(cyclobutylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 141463742
N-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109113956
N-(2-aminoethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119385085

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide (CID 109120839) is 6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide is O=C(NCc1ccccn1)c1ccc(N2CCCCCC2)nn1.
What is the InChIKey of 6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is NUUVWSSKGOAWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c23-17(19-13-14-7-3-4-10-18-14)15-8-9-16(21-20-15)22-11-5-1-2-6-12-22/h3-4,7-10H,1-2,5-6,11-13H2,(H,19,23).
What are the key properties of 6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109120839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).