N-methyl-6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazine-3-carboxamide

C15H23N5O2 — CID 133343097

IUPACN-methyl-6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2ccc(C(=O)NC)nn2)C1
InChIInChI=1S/C15H23N5O2/c1-3-8-17-14(21)11-5-4-9-20(10-11)13-7-6-12(18-19-13)15(22)16-2/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,22)(H,17,21)
InChIKeyHMKHDVHOJNTXSH-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.58
Rot. Bonds5

About N-methyl-6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazine-3-carboxamide

N-methyl-6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazine-3-carboxamide (PubChem CID 133343097) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-methyl-6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazine-3-carboxamide
PubChem CID133343097
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-methyl-6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2ccc(C(=O)NC)nn2)C1
InChIInChI=1S/C15H23N5O2/c1-3-8-17-14(21)11-5-4-9-20(10-11)13-7-6-12(18-19-13)15(22)16-2/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,22)(H,17,21)
InChIKeyHMKHDVHOJNTXSH-UHFFFAOYSA-N
XLogP0.58
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(6-propan-2-ylsulfanylpyridazin-3-yl)-N-propylpiperidine-3-carboxamide
CID 96538691
6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133356029
(3R)-N-(3-methoxypropyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 97265102
(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide
CID 93055793
(3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 51983369
1-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
CID 121118673
N-butyl-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53056953
1-[6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]-N-propylpiperidine-3-carboxamide
CID 53136227
1-(6-methylpyridazin-3-yl)-N-propylpiperidine-4-carboxamide
CID 121118861
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133329265
(3S)-1-[6-[2-(4-butylanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]-N-propylpiperidine-3-carboxamide
CID 95093169
(3S)-1-[6-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]-N-propylpiperidine-3-carboxamide
CID 95093090

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazine-3-carboxamide (CID 133343097) is N-methyl-6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazine-3-carboxamide is CCCNC(=O)C1CCCN(c2ccc(C(=O)NC)nn2)C1.
What is the InChIKey of N-methyl-6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazine-3-carboxamide?
The InChIKey is HMKHDVHOJNTXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-3-8-17-14(21)11-5-4-9-20(10-11)13-7-6-12(18-19-13)15(22)16-2/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,22)(H,17,21).
What are the key properties of N-methyl-6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazine-3-carboxamide?
N-methyl-6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 133343097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).