2-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methylamino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

C20H24N6O2 — CID 126930807

IUPAC2-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methylamino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESCn1nc(N2CCCCC2CNc2nc3c(cc2C#N)COCC3)ccc1=O
InChIInChI=1S/C20H24N6O2/c1-25-19(27)6-5-18(24-25)26-8-3-2-4-16(26)12-22-20-14(11-21)10-15-13-28-9-7-17(15)23-20/h5-6,10,16H,2-4,7-9,12-13H2,1H3,(H,22,23)
InChIKeyUTEINHPNJCPFHU-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.59
Rot. Bonds4

About 2-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methylamino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

2-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methylamino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 126930807) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methylamino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methylamino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID126930807
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name2-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methylamino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESCn1nc(N2CCCCC2CNc2nc3c(cc2C#N)COCC3)ccc1=O
InChIInChI=1S/C20H24N6O2/c1-25-19(27)6-5-18(24-25)26-8-3-2-4-16(26)12-22-20-14(11-21)10-15-13-28-9-7-17(15)23-20/h5-6,10,16H,2-4,7-9,12-13H2,1H3,(H,22,23)
InChIKeyUTEINHPNJCPFHU-UHFFFAOYSA-N
XLogP1.59
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methylamino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-6-[2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126930820
N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]morpholine-4-sulfonamide
CID 126930689
2-methyl-6-[2-[[(3-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126930745
2-methyl-6-[2-[[(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126930873
N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 126930642
2-[(1-ethylpyrrolidin-2-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 60707226
2-(2-hydroxycyclopentyl)-6-[2-[[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931412
2-[2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 126925099
2-[2-[2-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126938481
7-methoxy-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 126930585
2-[2-[2-[[(2-methyl-4-pyridinyl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126938404
2-methyl-6-[2-[(thiadiazol-4-ylmethylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126930784

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methylamino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methylamino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (CID 126930807) is 2-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methylamino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methylamino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methylamino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is Cn1nc(N2CCCCC2CNc2nc3c(cc2C#N)COCC3)ccc1=O.
What is the InChIKey of 2-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methylamino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is UTEINHPNJCPFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-25-19(27)6-5-18(24-25)26-8-3-2-4-16(26)12-22-20-14(11-21)10-15-13-28-9-7-17(15)23-20/h5-6,10,16H,2-4,7-9,12-13H2,1H3,(H,22,23).
What are the key properties of 2-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methylamino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
2-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methylamino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 380.45 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methylamino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 126930807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).