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

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

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Related Compounds

6-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methylamino]pyridine-2-carbonitrile
CID 126539207
N-(3-cyano-2-pyridinyl)-N-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide
CID 126509162
methyl 2-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoate
CID 64588746
2-[methyl-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]amino]pyridine-3-carbonitrile
CID 139462060
(2R)-2-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropanamide
CID 97252488
N-[[9-[4-(2-methylpropyl)piperazin-1-yl]-6-oxaspiro[4.5]decan-9-yl]methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 126508634
6-[[1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]cyclopropyl]methylamino]pyridine-2-carbonitrile
CID 139471180
6-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide
CID 62239352
5-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoic acid
CID 82684140
N-[[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide
CID 126507028
N-[6-(2-ethylbutanoylamino)-2-pyridinyl]-2-methylpentanamide
CID 148676240
N-[[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]oxan-4-yl]methyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 161013731

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).