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

C19H23N3O3 — CID 90207928

IUPACN-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methyladamantane-1-carboxamide
SMILESCC1=C(C#N)C(=O)N(N(C)C(=O)C23CC4CC(CC(C4)C2)C3)C(=O)C1
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/h12-14H,3-9H2,1-2H3
InChIKeyIYJWXKHLAUOCGY-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.18
Rot. Bonds2

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

N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methyladamantane-1-carboxamide (PubChem CID 90207928) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methyladamantane-1-carboxamide
PubChem CID90207928
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methyladamantane-1-carboxamide
SMILESCC1=C(C#N)C(=O)N(N(C)C(=O)C23CC4CC(CC(C4)C2)C3)C(=O)C1
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/h12-14H,3-9H2,1-2H3
InChIKeyIYJWXKHLAUOCGY-UHFFFAOYSA-N
XLogP2.18
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methyladamantane-1-carboxamide?
The IUPAC name of N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methyladamantane-1-carboxamide (CID 90207928) is N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methyladamantane-1-carboxamide.
What is the SMILES notation for N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methyladamantane-1-carboxamide?
The canonical SMILES for N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methyladamantane-1-carboxamide is CC1=C(C#N)C(=O)N(N(C)C(=O)C23CC4CC(CC(C4)C2)C3)C(=O)C1.
What is the InChIKey of N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methyladamantane-1-carboxamide?
The InChIKey is IYJWXKHLAUOCGY-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/h12-14H,3-9H2,1-2H3.
What are the key properties of N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methyladamantane-1-carboxamide?
N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methyladamantane-1-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methyladamantane-1-carboxamide is sourced from PubChem (CID 90207928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).