N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C18H28N2O3 — CID 111539116

IUPACN-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC2(O)CCC(C(C)(C)C)CC2)c[nH]1
InChIInChI=1S/C18H28N2O3/c1-12-9-15(21)14(10-19-12)16(22)20-11-18(23)7-5-13(6-8-18)17(2,3)4/h9-10,13,23H,5-8,11H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyXIOCAJQRMCXLNG-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.38
Rot. Bonds3

About N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 111539116) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID111539116
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC2(O)CCC(C(C)(C)C)CC2)c[nH]1
InChIInChI=1S/C18H28N2O3/c1-12-9-15(21)14(10-19-12)16(22)20-11-18(23)7-5-13(6-8-18)17(2,3)4/h9-10,13,23H,5-8,11H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyXIOCAJQRMCXLNG-UHFFFAOYSA-N
XLogP2.38
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-4-cyano-1H-pyrrole-2-carboxamide
CID 111696532
N-[(2-hydroxycyclopentyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113247272
6-methyl-N-[(2-methylthiolan-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103757770
3-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 111463021
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104772793
N-[2-[cyclopropyl(methyl)amino]propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717932
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717899
6-methyl-4-oxo-N-pent-3-ynyl-1H-pyridine-3-carboxamide
CID 104581008
N-(2-hydroxy-2-methylpentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103718353
N-[(2R)-2-hydroxypropyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103884747
N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114152739
6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
CID 104955353

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 111539116) is N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCC2(O)CCC(C(C)(C)C)CC2)c[nH]1.
What is the InChIKey of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XIOCAJQRMCXLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-12-9-15(21)14(10-19-12)16(22)20-11-18(23)7-5-13(6-8-18)17(2,3)4/h9-10,13,23H,5-8,11H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 111539116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).