4,6-dimethyl-2-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide

C19H24N6O2 — CID 131950060

IUPAC4,6-dimethyl-2-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NC23CC4CC(C2)CC(n2ncnn2)(C4)C3)c(=O)[nH]1
InChIInChI=1S/C19H24N6O2/c1-11-3-12(2)22-16(26)15(11)17(27)23-18-5-13-4-14(6-18)8-19(7-13,9-18)25-21-10-20-24-25/h3,10,13-14H,4-9H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyYMJFRYWICCGMCN-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.46
Rot. Bonds3

About 4,6-dimethyl-2-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide

4,6-dimethyl-2-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide (PubChem CID 131950060) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide
PubChem CID131950060
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name4,6-dimethyl-2-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NC23CC4CC(C2)CC(n2ncnn2)(C4)C3)c(=O)[nH]1
InChIInChI=1S/C19H24N6O2/c1-11-3-12(2)22-16(26)15(11)17(27)23-18-5-13-4-14(6-18)8-19(7-13,9-18)25-21-10-20-24-25/h3,10,13-14H,4-9H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyYMJFRYWICCGMCN-UHFFFAOYSA-N
XLogP1.46
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-2-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide (CID 131950060) is 4,6-dimethyl-2-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-2-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-2-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NC23CC4CC(C2)CC(n2ncnn2)(C4)C3)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-2-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide?
The InChIKey is YMJFRYWICCGMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-11-3-12(2)22-16(26)15(11)17(27)23-18-5-13-4-14(6-18)8-19(7-13,9-18)25-21-10-20-24-25/h3,10,13-14H,4-9H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 4,6-dimethyl-2-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide?
4,6-dimethyl-2-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 131950060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).