N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methoxybenzamide

C21H26N4O3 — CID 91924069

IUPACN-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1CCN(c2cnn(CC3CC3)c(=O)c2)CC1
InChIInChI=1S/C21H26N4O3/c1-28-19-5-3-2-4-18(19)21(27)23-16-8-10-24(11-9-16)17-12-20(26)25(22-13-17)14-15-6-7-15/h2-5,12-13,15-16H,6-11,14H2,1H3,(H,23,27)
InChIKeyYUOXRNNFXBKGFW-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.06
Rot. Bonds6

About N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methoxybenzamide

N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methoxybenzamide (PubChem CID 91924069) 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]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methoxybenzamide
PubChem CID91924069
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1CCN(c2cnn(CC3CC3)c(=O)c2)CC1
InChIInChI=1S/C21H26N4O3/c1-28-19-5-3-2-4-18(19)21(27)23-16-8-10-24(11-9-16)17-12-20(26)25(22-13-17)14-15-6-7-15/h2-5,12-13,15-16H,6-11,14H2,1H3,(H,23,27)
InChIKeyYUOXRNNFXBKGFW-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]-3-methoxybenzamide
CID 91911835
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]-4-methoxy-2-methylbenzamide
CID 91924053
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide
CID 91911783
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,6-dimethoxypyridine-3-carboxamide
CID 91911769
2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 5173361
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 91924080
(3S)-N-cyclopentyl-1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carboxamide
CID 164631857
2-methoxy-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]benzamide
CID 108549225
N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide
CID 91911804
3-fluoro-4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide
CID 91911758

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methoxybenzamide?
The IUPAC name of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methoxybenzamide (CID 91924069) is N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methoxybenzamide?
The canonical SMILES for N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC1CCN(c2cnn(CC3CC3)c(=O)c2)CC1.
What is the InChIKey of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methoxybenzamide?
The InChIKey is YUOXRNNFXBKGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-28-19-5-3-2-4-18(19)21(27)23-16-8-10-24(11-9-16)17-12-20(26)25(22-13-17)14-15-6-7-15/h2-5,12-13,15-16H,6-11,14H2,1H3,(H,23,27).
What are the key properties of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methoxybenzamide?
N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-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]-2-methoxybenzamide is sourced from PubChem (CID 91924069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).