6-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methylamino]pyridine-2-carbonitrile

C20H31N5O — CID 126539207

IUPAC6-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methylamino]pyridine-2-carbonitrile
SMILESCC(C)CN1CCN(C2(CNc3cccc(C#N)n3)CCOCC2)CC1
InChIInChI=1S/C20H31N5O/c1-17(2)15-24-8-10-25(11-9-24)20(6-12-26-13-7-20)16-22-19-5-3-4-18(14-21)23-19/h3-5,17H,6-13,15-16H2,1-2H3,(H,22,23)
InChIKeyKIYOSODNQKIDMZ-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.19
Rot. Bonds6

About 6-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methylamino]pyridine-2-carbonitrile

6-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methylamino]pyridine-2-carbonitrile (PubChem CID 126539207) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 6-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methylamino]pyridine-2-carbonitrile
PubChem CID126539207
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name6-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methylamino]pyridine-2-carbonitrile
SMILESCC(C)CN1CCN(C2(CNc3cccc(C#N)n3)CCOCC2)CC1
InChIInChI=1S/C20H31N5O/c1-17(2)15-24-8-10-25(11-9-24)20(6-12-26-13-7-20)16-22-19-5-3-4-18(14-21)23-19/h3-5,17H,6-13,15-16H2,1-2H3,(H,22,23)
InChIKeyKIYOSODNQKIDMZ-UHFFFAOYSA-N
XLogP2.19
TPSA64.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methylamino]pyridine-2-carbonitrile with MolForge

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Related Compounds

N-(6-cyano-2-pyridinyl)-2-methyl-3-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]propanamide
CID 126507581
6-[[1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]cyclopropyl]methylamino]pyridine-2-carbonitrile
CID 139471180
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-amine
CID 126539749
6-[(1-ethylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103736862
N-(3-cyano-2-pyridinyl)-N-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide
CID 126509162
6-[(1-hydroxycyclopentyl)methylamino]pyridine-2-carbonitrile
CID 65110570
2-[methyl-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]amino]pyridine-3-carbonitrile
CID 139462060
3-chloro-6-[(1-morpholin-4-ylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 133282956
2-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 126539757
N-ethyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridin-2-amine
CID 79234172
6-methyl-5-nitro-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyridin-2-amine
CID 84588427
N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
CID 103743077

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methylamino]pyridine-2-carbonitrile (CID 126539207) is 6-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methylamino]pyridine-2-carbonitrile is CC(C)CN1CCN(C2(CNc3cccc(C#N)n3)CCOCC2)CC1.
What is the InChIKey of 6-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methylamino]pyridine-2-carbonitrile?
The InChIKey is KIYOSODNQKIDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-17(2)15-24-8-10-25(11-9-24)20(6-12-26-13-7-20)16-22-19-5-3-4-18(14-21)23-19/h3-5,17H,6-13,15-16H2,1-2H3,(H,22,23).
What are the key properties of 6-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methylamino]pyridine-2-carbonitrile?
6-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methylamino]pyridine-2-carbonitrile has a molecular weight of 357.50 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 126539207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).