N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]quinoline-6-carboxamide

C23H27N5O2 — CID 126937660

IUPACN-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]quinoline-6-carboxamide
SMILESCc1ccc(=O)n(CCN2CCCCC2CNC(=O)c2ccc3ncccc3c2)n1
InChIInChI=1S/C23H27N5O2/c1-17-7-10-22(29)28(26-17)14-13-27-12-3-2-6-20(27)16-25-23(30)19-8-9-21-18(15-19)5-4-11-24-21/h4-5,7-11,15,20H,2-3,6,12-14,16H2,1H3,(H,25,30)
InChIKeyBKMADQOWHLTBBD-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.38
Rot. Bonds6

About N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]quinoline-6-carboxamide

N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]quinoline-6-carboxamide (PubChem CID 126937660) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]quinoline-6-carboxamide
PubChem CID126937660
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]quinoline-6-carboxamide
SMILESCc1ccc(=O)n(CCN2CCCCC2CNC(=O)c2ccc3ncccc3c2)n1
InChIInChI=1S/C23H27N5O2/c1-17-7-10-22(29)28(26-17)14-13-27-12-3-2-6-20(27)16-25-23(30)19-8-9-21-18(15-19)5-4-11-24-21/h4-5,7-11,15,20H,2-3,6,12-14,16H2,1H3,(H,25,30)
InChIKeyBKMADQOWHLTBBD-UHFFFAOYSA-N
XLogP2.38
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]pyrazine-2-carboxamide
CID 126937610
N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137193700
4-methyl-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 126937638
4-bromo-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]thiophene-2-carboxamide
CID 126937766
6-methyl-2-[2-[2-[[(5-methylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937746
2-[2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one
CID 126937730
5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 126937456
2-[2-[2-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one
CID 126937686
5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 126937418
6-methyl-2-[[1-(quinoline-6-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126926956
2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one
CID 126937711
N-[(3-aminocyclobutyl)methyl]quinoline-6-carboxamide
CID 66004939

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]quinoline-6-carboxamide?
The IUPAC name of N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]quinoline-6-carboxamide (CID 126937660) is N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]quinoline-6-carboxamide is Cc1ccc(=O)n(CCN2CCCCC2CNC(=O)c2ccc3ncccc3c2)n1.
What is the InChIKey of N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]quinoline-6-carboxamide?
The InChIKey is BKMADQOWHLTBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-17-7-10-22(29)28(26-17)14-13-27-12-3-2-6-20(27)16-25-23(30)19-8-9-21-18(15-19)5-4-11-24-21/h4-5,7-11,15,20H,2-3,6,12-14,16H2,1H3,(H,25,30).
What are the key properties of N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]quinoline-6-carboxamide?
N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]quinoline-6-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 126937660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).