3-(3-hydroxyprop-1-ynyl)-N-(2-methyltetrazol-5-yl)pyridine-2-carboxamide

C11H10N6O2 — CID 107522957

IUPAC3-(3-hydroxyprop-1-ynyl)-N-(2-methyltetrazol-5-yl)pyridine-2-carboxamide
SMILESCn1nnc(NC(=O)c2ncccc2C#CCO)n1
InChIInChI=1S/C11H10N6O2/c1-17-15-11(14-16-17)13-10(19)9-8(5-3-7-18)4-2-6-12-9/h2,4,6,18H,7H2,1H3,(H,13,15,19)
InChIKeyHUCCMGNKLKFNIW-UHFFFAOYSA-N
MW258.24 g/mol
LogP-0.80
Rot. Bonds2

About 3-(3-hydroxyprop-1-ynyl)-N-(2-methyltetrazol-5-yl)pyridine-2-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-(2-methyltetrazol-5-yl)pyridine-2-carboxamide (PubChem CID 107522957) has the molecular formula C11H10N6O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-(2-methyltetrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-(2-methyltetrazol-5-yl)pyridine-2-carboxamide
PubChem CID107522957
Molecular FormulaC11H10N6O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-(2-methyltetrazol-5-yl)pyridine-2-carboxamide
SMILESCn1nnc(NC(=O)c2ncccc2C#CCO)n1
InChIInChI=1S/C11H10N6O2/c1-17-15-11(14-16-17)13-10(19)9-8(5-3-7-18)4-2-6-12-9/h2,4,6,18H,7H2,1H3,(H,13,15,19)
InChIKeyHUCCMGNKLKFNIW-UHFFFAOYSA-N
XLogP-0.80
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxyprop-1-ynyl)-N-(1,2,4-triazin-3-yl)pyridine-2-carboxamide
CID 107523295
N-(4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107520897
3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-2-carboxamide
CID 107589634
3-(3-hydroxyprop-1-ynyl)-N-(thiadiazol-5-yl)pyridine-2-carboxamide
CID 107523313
3-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 107520997
3-(3-hydroxyprop-1-ynyl)-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 107520524
3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 107523091
N-(4-fluoro-3-methylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107522279
2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide
CID 938393
N-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107523135
3-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 107521646
3-(3-hydroxyprop-1-ynyl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 107521201

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(2-methyltetrazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(2-methyltetrazol-5-yl)pyridine-2-carboxamide (CID 107522957) is 3-(3-hydroxyprop-1-ynyl)-N-(2-methyltetrazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-(2-methyltetrazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-(2-methyltetrazol-5-yl)pyridine-2-carboxamide is Cn1nnc(NC(=O)c2ncccc2C#CCO)n1.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-(2-methyltetrazol-5-yl)pyridine-2-carboxamide?
The InChIKey is HUCCMGNKLKFNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O2/c1-17-15-11(14-16-17)13-10(19)9-8(5-3-7-18)4-2-6-12-9/h2,4,6,18H,7H2,1H3,(H,13,15,19).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-(2-methyltetrazol-5-yl)pyridine-2-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-(2-methyltetrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 258.24 g/mol, XLogP of -0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-(2-methyltetrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 107522957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).