N-(6-cyano-2-pyridinyl)-2-methyl-3-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]propanamide

C23H35N5O2 — CID 126507581

IUPACN-(6-cyano-2-pyridinyl)-2-methyl-3-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]propanamide
SMILESCC(C)CN1CCN(C2(CC(C)C(=O)Nc3cccc(C#N)n3)CCOCC2)CC1
InChIInChI=1S/C23H35N5O2/c1-18(2)17-27-9-11-28(12-10-27)23(7-13-30-14-8-23)15-19(3)22(29)26-21-6-4-5-20(16-24)25-21/h4-6,18-19H,7-15,17H2,1-3H3,(H,25,26,29)
InChIKeyOQORJUITZAGKIZ-UHFFFAOYSA-N
MW413.57 g/mol
LogP2.74
Rot. Bonds7

About N-(6-cyano-2-pyridinyl)-2-methyl-3-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]propanamide

N-(6-cyano-2-pyridinyl)-2-methyl-3-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]propanamide (PubChem CID 126507581) has the molecular formula C23H35N5O2 and a molecular weight of 413.57 g/mol. Its IUPAC name is N-(6-cyano-2-pyridinyl)-2-methyl-3-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]propanamide.

Molecular Properties

Compound NameN-(6-cyano-2-pyridinyl)-2-methyl-3-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]propanamide
PubChem CID126507581
Molecular FormulaC23H35N5O2
Molecular Weight413.57 g/mol
Exact Mass413.28
IUPAC NameN-(6-cyano-2-pyridinyl)-2-methyl-3-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]propanamide
SMILESCC(C)CN1CCN(C2(CC(C)C(=O)Nc3cccc(C#N)n3)CCOCC2)CC1
InChIInChI=1S/C23H35N5O2/c1-18(2)17-27-9-11-28(12-10-27)23(7-13-30-14-8-23)15-19(3)22(29)26-21-6-4-5-20(16-24)25-21/h4-6,18-19H,7-15,17H2,1-3H3,(H,25,26,29)
InChIKeyOQORJUITZAGKIZ-UHFFFAOYSA-N
XLogP2.74
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-2-pyridinyl)-2-methyl-3-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]propanamide?
The IUPAC name of N-(6-cyano-2-pyridinyl)-2-methyl-3-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]propanamide (CID 126507581) is N-(6-cyano-2-pyridinyl)-2-methyl-3-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]propanamide.
What is the SMILES notation for N-(6-cyano-2-pyridinyl)-2-methyl-3-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]propanamide?
The canonical SMILES for N-(6-cyano-2-pyridinyl)-2-methyl-3-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]propanamide is CC(C)CN1CCN(C2(CC(C)C(=O)Nc3cccc(C#N)n3)CCOCC2)CC1.
What is the InChIKey of N-(6-cyano-2-pyridinyl)-2-methyl-3-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]propanamide?
The InChIKey is OQORJUITZAGKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O2/c1-18(2)17-27-9-11-28(12-10-27)23(7-13-30-14-8-23)15-19(3)22(29)26-21-6-4-5-20(16-24)25-21/h4-6,18-19H,7-15,17H2,1-3H3,(H,25,26,29).
What are the key properties of N-(6-cyano-2-pyridinyl)-2-methyl-3-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]propanamide?
N-(6-cyano-2-pyridinyl)-2-methyl-3-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]propanamide has a molecular weight of 413.57 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-2-pyridinyl)-2-methyl-3-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]propanamide is sourced from PubChem (CID 126507581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).