2-[methyl-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]amino]pyridine-3-carbonitrile

C20H31N5O — CID 139462060

IUPAC2-[methyl-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]amino]pyridine-3-carbonitrile
SMILESCC(C)CN1CCN(C2(N(C)c3ncccc3C#N)CCOCC2)CC1
InChIInChI=1S/C20H31N5O/c1-17(2)16-24-9-11-25(12-10-24)20(6-13-26-14-7-20)23(3)19-18(15-21)5-4-8-22-19/h4-5,8,17H,6-7,9-14,16H2,1-3H3
InChIKeyWKLNCNMHPJHOTE-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.17
Rot. Bonds5

About 2-[methyl-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]amino]pyridine-3-carbonitrile

2-[methyl-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]amino]pyridine-3-carbonitrile (PubChem CID 139462060) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-[methyl-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[methyl-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]amino]pyridine-3-carbonitrile
PubChem CID139462060
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name2-[methyl-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]amino]pyridine-3-carbonitrile
SMILESCC(C)CN1CCN(C2(N(C)c3ncccc3C#N)CCOCC2)CC1
InChIInChI=1S/C20H31N5O/c1-17(2)16-24-9-11-25(12-10-24)20(6-13-26-14-7-20)23(3)19-18(15-21)5-4-8-22-19/h4-5,8,17H,6-7,9-14,16H2,1-3H3
InChIKeyWKLNCNMHPJHOTE-UHFFFAOYSA-N
XLogP2.17
TPSA55.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[methyl-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]amino]pyridine-3-carbonitrile (CID 139462060) is 2-[methyl-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[methyl-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[methyl-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]amino]pyridine-3-carbonitrile is CC(C)CN1CCN(C2(N(C)c3ncccc3C#N)CCOCC2)CC1.
What is the InChIKey of 2-[methyl-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]amino]pyridine-3-carbonitrile?
The InChIKey is WKLNCNMHPJHOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-17(2)16-24-9-11-25(12-10-24)20(6-13-26-14-7-20)23(3)19-18(15-21)5-4-8-22-19/h4-5,8,17H,6-7,9-14,16H2,1-3H3.
What are the key properties of 2-[methyl-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]amino]pyridine-3-carbonitrile?
2-[methyl-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]amino]pyridine-3-carbonitrile has a molecular weight of 357.50 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 139462060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).