5-chloro-6-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide

C17H19ClN6O2 — CID 131932506

IUPAC5-chloro-6-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide
SMILESO=C(NC12CC3CC(C1)CC(n1ncnn1)(C3)C2)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C17H19ClN6O2/c18-13-2-12(7-19-15(13)26)14(25)22-16-3-10-1-11(4-16)6-17(5-10,8-16)24-21-9-20-23-24/h2,7,9-11H,1,3-6,8H2,(H,19,26)(H,22,25)
InChIKeySPPUJKUEUVOEKE-UHFFFAOYSA-N
MW374.83 g/mol
LogP1.49
Rot. Bonds3

About 5-chloro-6-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide

5-chloro-6-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide (PubChem CID 131932506) has the molecular formula C17H19ClN6O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is 5-chloro-6-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide
PubChem CID131932506
Molecular FormulaC17H19ClN6O2
Molecular Weight374.83 g/mol
Exact Mass374.13
IUPAC Name5-chloro-6-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide
SMILESO=C(NC12CC3CC(C1)CC(n1ncnn1)(C3)C2)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C17H19ClN6O2/c18-13-2-12(7-19-15(13)26)14(25)22-16-3-10-1-11(4-16)6-17(5-10,8-16)24-21-9-20-23-24/h2,7,9-11H,1,3-6,8H2,(H,19,26)(H,22,25)
InChIKeySPPUJKUEUVOEKE-UHFFFAOYSA-N
XLogP1.49
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide (CID 131932506) is 5-chloro-6-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide is O=C(NC12CC3CC(C1)CC(n1ncnn1)(C3)C2)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-6-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide?
The InChIKey is SPPUJKUEUVOEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O2/c18-13-2-12(7-19-15(13)26)14(25)22-16-3-10-1-11(4-16)6-17(5-10,8-16)24-21-9-20-23-24/h2,7,9-11H,1,3-6,8H2,(H,19,26)(H,22,25).
What are the key properties of 5-chloro-6-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide?
5-chloro-6-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide has a molecular weight of 374.83 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 131932506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).