4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-ethyl-2-methylpiperazine-1-carboxamide

C23H33N5O2 — CID 71119202

IUPAC4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-ethyl-2-methylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2nc(C3CCCCC3)c3c(c2C#N)CCOC3)CC1C
InChIInChI=1S/C23H33N5O2/c1-3-25-23(29)28-11-10-27(14-16(28)2)22-19(13-24)18-9-12-30-15-20(18)21(26-22)17-7-5-4-6-8-17/h16-17H,3-12,14-15H2,1-2H3,(H,25,29)
InChIKeyVUDOSEFVEGWYLL-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.31
Rot. Bonds3

About 4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-ethyl-2-methylpiperazine-1-carboxamide

4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-ethyl-2-methylpiperazine-1-carboxamide (PubChem CID 71119202) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-ethyl-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-ethyl-2-methylpiperazine-1-carboxamide
PubChem CID71119202
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC Name4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-ethyl-2-methylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2nc(C3CCCCC3)c3c(c2C#N)CCOC3)CC1C
InChIInChI=1S/C23H33N5O2/c1-3-25-23(29)28-11-10-27(14-16(28)2)22-19(13-24)18-9-12-30-15-20(18)21(26-22)17-7-5-4-6-8-17/h16-17H,3-12,14-15H2,1-2H3,(H,25,29)
InChIKeyVUDOSEFVEGWYLL-UHFFFAOYSA-N
XLogP3.31
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-ethyl-2-methylpiperazine-1-carboxamide?
The IUPAC name of 4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-ethyl-2-methylpiperazine-1-carboxamide (CID 71119202) is 4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-ethyl-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-ethyl-2-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-ethyl-2-methylpiperazine-1-carboxamide is CCNC(=O)N1CCN(c2nc(C3CCCCC3)c3c(c2C#N)CCOC3)CC1C.
What is the InChIKey of 4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-ethyl-2-methylpiperazine-1-carboxamide?
The InChIKey is VUDOSEFVEGWYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-3-25-23(29)28-11-10-27(14-16(28)2)22-19(13-24)18-9-12-30-15-20(18)21(26-22)17-7-5-4-6-8-17/h16-17H,3-12,14-15H2,1-2H3,(H,25,29).
What are the key properties of 4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-ethyl-2-methylpiperazine-1-carboxamide?
4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-ethyl-2-methylpiperazine-1-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-ethyl-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 71119202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).