N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N-methyladamantane-1-carboxamide

C19H23N3O3 — CID 123841753

IUPACN-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N-methyladamantane-1-carboxamide
SMILESCc1cc(=O)n(N(C)C(=O)C23CC4CC(CC(C4)C2)C3)c(O)c1C#N
InChIInChI=1S/C19H23N3O3/c1-11-3-16(23)22(17(24)15(11)10-20)21(2)18(25)19-7-12-4-13(8-19)6-14(5-12)9-19/h3,12-14,24H,4-9H2,1-2H3
InChIKeyWOTKDQWJSAMKGB-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.04
Rot. Bonds2

About N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N-methyladamantane-1-carboxamide

N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N-methyladamantane-1-carboxamide (PubChem CID 123841753) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N-methyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N-methyladamantane-1-carboxamide
PubChem CID123841753
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N-methyladamantane-1-carboxamide
SMILESCc1cc(=O)n(N(C)C(=O)C23CC4CC(CC(C4)C2)C3)c(O)c1C#N
InChIInChI=1S/C19H23N3O3/c1-11-3-16(23)22(17(24)15(11)10-20)21(2)18(25)19-7-12-4-13(8-19)6-14(5-12)9-19/h3,12-14,24H,4-9H2,1-2H3
InChIKeyWOTKDQWJSAMKGB-UHFFFAOYSA-N
XLogP2.04
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methyladamantane-1-carboxamide
CID 90207928

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N-methyladamantane-1-carboxamide?
The IUPAC name of N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N-methyladamantane-1-carboxamide (CID 123841753) is N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N-methyladamantane-1-carboxamide.
What is the SMILES notation for N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N-methyladamantane-1-carboxamide?
The canonical SMILES for N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N-methyladamantane-1-carboxamide is Cc1cc(=O)n(N(C)C(=O)C23CC4CC(CC(C4)C2)C3)c(O)c1C#N.
What is the InChIKey of N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N-methyladamantane-1-carboxamide?
The InChIKey is WOTKDQWJSAMKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-11-3-16(23)22(17(24)15(11)10-20)21(2)18(25)19-7-12-4-13(8-19)6-14(5-12)9-19/h3,12-14,24H,4-9H2,1-2H3.
What are the key properties of N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N-methyladamantane-1-carboxamide?
N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N-methyladamantane-1-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N-methyladamantane-1-carboxamide is sourced from PubChem (CID 123841753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).