3,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridine-2-carboxamide

C18H23N5O — CID 136521831

IUPAC3,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CCCN(c3ccc(C)nn3)C2)c(C)c1
InChIInChI=1S/C18H23N5O/c1-12-9-13(2)17(19-10-12)18(24)20-15-5-4-8-23(11-15)16-7-6-14(3)21-22-16/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,20,24)
InChIKeyPZSFNJBVGZASNP-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.20
Rot. Bonds3

About 3,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridine-2-carboxamide

3,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridine-2-carboxamide (PubChem CID 136521831) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridine-2-carboxamide
PubChem CID136521831
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name3,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CCCN(c3ccc(C)nn3)C2)c(C)c1
InChIInChI=1S/C18H23N5O/c1-12-9-13(2)17(19-10-12)18(24)20-15-5-4-8-23(11-15)16-7-6-14(3)21-22-16/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,20,24)
InChIKeyPZSFNJBVGZASNP-UHFFFAOYSA-N
XLogP2.20
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
CID 129161486
N-ethyl-N-methyl-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoylamino]propanamide
CID 122139210
1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)urea
CID 127337250
N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118608
N-cyclohexyl-4-methyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 175302355
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
(2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide
CID 98761227
(3aS,6aR)-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122002808
(2S)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95342984
6-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 56777999
(4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118558
N-(4-methylpiperazin-1-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118540

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridine-2-carboxamide (CID 136521831) is 3,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridine-2-carboxamide is Cc1cnc(C(=O)NC2CCCN(c3ccc(C)nn3)C2)c(C)c1.
What is the InChIKey of 3,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridine-2-carboxamide?
The InChIKey is PZSFNJBVGZASNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-12-9-13(2)17(19-10-12)18(24)20-15-5-4-8-23(11-15)16-7-6-14(3)21-22-16/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,20,24).
What are the key properties of 3,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridine-2-carboxamide?
3,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridine-2-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 136521831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).