6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide

C20H26N4O3 — CID 109123466

IUPAC6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(N3CCCCCC3)nn2)cc1OC
InChIInChI=1S/C20H26N4O3/c1-26-17-9-7-15(13-18(17)27-2)14-21-20(25)16-8-10-19(23-22-16)24-11-5-3-4-6-12-24/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,21,25)
InChIKeyOVLRDQRTLWVHOE-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.80
Rot. Bonds6

About 6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide

6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide (PubChem CID 109123466) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
PubChem CID109123466
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(N3CCCCCC3)nn2)cc1OC
InChIInChI=1S/C20H26N4O3/c1-26-17-9-7-15(13-18(17)27-2)14-21-20(25)16-8-10-19(23-22-16)24-11-5-3-4-6-12-24/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,21,25)
InChIKeyOVLRDQRTLWVHOE-UHFFFAOYSA-N
XLogP2.80
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111768
N-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116505
N-(1,3-benzodioxol-5-ylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 71778537
6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109112480
6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109109847
6-piperidin-1-yl-N-(3,4,5-trimethoxyphenyl)pyridazine-3-carboxamide
CID 109112601
N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735122
2-[6-(azepan-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 53161277
N-(cyclobutylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 141463742
6-(4-acetylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109117087
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109123335

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide (CID 109123466) is 6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide is COc1ccc(CNC(=O)c2ccc(N3CCCCCC3)nn2)cc1OC.
What is the InChIKey of 6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is OVLRDQRTLWVHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-26-17-9-7-15(13-18(17)27-2)14-21-20(25)16-8-10-19(23-22-16)24-11-5-3-4-6-12-24/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,21,25).
What are the key properties of 6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide?
6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109123466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).