5-cyano-2-(4,4-dimethylazepan-1-yl)-4-methylpyridine-3-carboxamide

C16H22N4O — CID 170207571

IUPAC5-cyano-2-(4,4-dimethylazepan-1-yl)-4-methylpyridine-3-carboxamide
SMILESCc1c(C#N)cnc(N2CCCC(C)(C)CC2)c1C(N)=O
InChIInChI=1S/C16H22N4O/c1-11-12(9-17)10-19-15(13(11)14(18)21)20-7-4-5-16(2,3)6-8-20/h10H,4-8H2,1-3H3,(H2,18,21)
InChIKeyYBEMKDHFTMFMDI-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.38
Rot. Bonds2

About 5-cyano-2-(4,4-dimethylazepan-1-yl)-4-methylpyridine-3-carboxamide

5-cyano-2-(4,4-dimethylazepan-1-yl)-4-methylpyridine-3-carboxamide (PubChem CID 170207571) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-cyano-2-(4,4-dimethylazepan-1-yl)-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-2-(4,4-dimethylazepan-1-yl)-4-methylpyridine-3-carboxamide
PubChem CID170207571
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-cyano-2-(4,4-dimethylazepan-1-yl)-4-methylpyridine-3-carboxamide
SMILESCc1c(C#N)cnc(N2CCCC(C)(C)CC2)c1C(N)=O
InChIInChI=1S/C16H22N4O/c1-11-12(9-17)10-19-15(13(11)14(18)21)20-7-4-5-16(2,3)6-8-20/h10H,4-8H2,1-3H3,(H2,18,21)
InChIKeyYBEMKDHFTMFMDI-UHFFFAOYSA-N
XLogP2.38
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-(4,4-dimethylazepan-1-yl)-4-methylpyridine-3-carboxamide?
The IUPAC name of 5-cyano-2-(4,4-dimethylazepan-1-yl)-4-methylpyridine-3-carboxamide (CID 170207571) is 5-cyano-2-(4,4-dimethylazepan-1-yl)-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-2-(4,4-dimethylazepan-1-yl)-4-methylpyridine-3-carboxamide?
The canonical SMILES for 5-cyano-2-(4,4-dimethylazepan-1-yl)-4-methylpyridine-3-carboxamide is Cc1c(C#N)cnc(N2CCCC(C)(C)CC2)c1C(N)=O.
What is the InChIKey of 5-cyano-2-(4,4-dimethylazepan-1-yl)-4-methylpyridine-3-carboxamide?
The InChIKey is YBEMKDHFTMFMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-12(9-17)10-19-15(13(11)14(18)21)20-7-4-5-16(2,3)6-8-20/h10H,4-8H2,1-3H3,(H2,18,21).
What are the key properties of 5-cyano-2-(4,4-dimethylazepan-1-yl)-4-methylpyridine-3-carboxamide?
5-cyano-2-(4,4-dimethylazepan-1-yl)-4-methylpyridine-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-(4,4-dimethylazepan-1-yl)-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 170207571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).