N,2,6-trimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide

C21H33N3O2 — CID 56909282

IUPACN,2,6-trimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)CC2(N3CCCCC3)CCCCC2)c(C)[nH]1
InChIInChI=1S/C21H33N3O2/c1-16-14-18(25)19(17(2)22-16)20(26)23(3)15-21(10-6-4-7-11-21)24-12-8-5-9-13-24/h14H,4-13,15H2,1-3H3,(H,22,25)
InChIKeySTYDHXKYUZSNLO-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.25
Rot. Bonds4

About N,2,6-trimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide

N,2,6-trimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide (PubChem CID 56909282) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N,2,6-trimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN,2,6-trimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide
PubChem CID56909282
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN,2,6-trimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)CC2(N3CCCCC3)CCCCC2)c(C)[nH]1
InChIInChI=1S/C21H33N3O2/c1-16-14-18(25)19(17(2)22-16)20(26)23(3)15-21(10-6-4-7-11-21)24-12-8-5-9-13-24/h14H,4-13,15H2,1-3H3,(H,22,25)
InChIKeySTYDHXKYUZSNLO-UHFFFAOYSA-N
XLogP3.25
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of N,2,6-trimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide (CID 56909282) is N,2,6-trimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for N,2,6-trimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for N,2,6-trimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)N(C)CC2(N3CCCCC3)CCCCC2)c(C)[nH]1.
What is the InChIKey of N,2,6-trimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide?
The InChIKey is STYDHXKYUZSNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-16-14-18(25)19(17(2)22-16)20(26)23(3)15-21(10-6-4-7-11-21)24-12-8-5-9-13-24/h14H,4-13,15H2,1-3H3,(H,22,25).
What are the key properties of N,2,6-trimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide?
N,2,6-trimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56909282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).