N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxybenzamide

C21H26N4O3 — CID 91911835

IUPACN-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(c3cnn(CC4CC4)c(=O)c3)CC2)c1
InChIInChI=1S/C21H26N4O3/c1-28-19-4-2-3-16(11-19)21(27)23-17-7-9-24(10-8-17)18-12-20(26)25(22-13-18)14-15-5-6-15/h2-4,11-13,15,17H,5-10,14H2,1H3,(H,23,27)
InChIKeyUQPZTTJFNISYPG-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.06
Rot. Bonds6

About N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxybenzamide

N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxybenzamide (PubChem CID 91911835) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxybenzamide
PubChem CID91911835
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(c3cnn(CC4CC4)c(=O)c3)CC2)c1
InChIInChI=1S/C21H26N4O3/c1-28-19-4-2-3-16(11-19)21(27)23-17-7-9-24(10-8-17)18-12-20(26)25(22-13-18)14-15-5-6-15/h2-4,11-13,15,17H,5-10,14H2,1H3,(H,23,27)
InChIKeyUQPZTTJFNISYPG-UHFFFAOYSA-N
XLogP2.06
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methoxybenzamide
CID 91924069
4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide
CID 91924018
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methoxy-2-methylbenzamide
CID 91924053
N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methylbutanamide
CID 91924068
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide
CID 91911783
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 91924080
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110819864
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
N-[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methoxybenzamide
CID 75394886
3-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528481
3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528323

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxybenzamide (CID 91911835) is N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC2CCN(c3cnn(CC4CC4)c(=O)c3)CC2)c1.
What is the InChIKey of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxybenzamide?
The InChIKey is UQPZTTJFNISYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-28-19-4-2-3-16(11-19)21(27)23-17-7-9-24(10-8-17)18-12-20(26)25(22-13-18)14-15-5-6-15/h2-4,11-13,15,17H,5-10,14H2,1H3,(H,23,27).
What are the key properties of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxybenzamide?
N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxybenzamide has a molecular weight of 382.46 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 91911835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).