6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide

C16H20N6O2 — CID 133329406

IUPAC6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(c3cc(OC)ccn3)CC2)nn1
InChIInChI=1S/C16H20N6O2/c1-17-16(23)13-3-4-14(20-19-13)21-7-9-22(10-8-21)15-11-12(24-2)5-6-18-15/h3-6,11H,7-10H2,1-2H3,(H,17,23)
InChIKeyWJTMXNCXRLRSJU-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.57
Rot. Bonds4

About 6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide

6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide (PubChem CID 133329406) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide
PubChem CID133329406
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(c3cc(OC)ccn3)CC2)nn1
InChIInChI=1S/C16H20N6O2/c1-17-16(23)13-3-4-14(20-19-13)21-7-9-22(10-8-21)15-11-12(24-2)5-6-18-15/h3-6,11H,7-10H2,1-2H3,(H,17,23)
InChIKeyWJTMXNCXRLRSJU-UHFFFAOYSA-N
XLogP0.57
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133458571
N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027738
N-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133339559
2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 119877691
[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 146086584
N-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109113956
N-methyl-6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133487033
6-[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-N-methylpyridazine-3-carboxamide
CID 96566216
6-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133343668
1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
CID 122144748
N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168975
4-[[[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019557

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide (CID 133329406) is 6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(N2CCN(c3cc(OC)ccn3)CC2)nn1.
What is the InChIKey of 6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide?
The InChIKey is WJTMXNCXRLRSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-17-16(23)13-3-4-14(20-19-13)21-7-9-22(10-8-21)15-11-12(24-2)5-6-18-15/h3-6,11H,7-10H2,1-2H3,(H,17,23).
What are the key properties of 6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide?
6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 133329406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).