N-(2-prop-2-enyltetrazol-5-yl)pyridine-3-carboxamide

C10H10N6O — CID 17027338

IUPACN-(2-prop-2-enyltetrazol-5-yl)pyridine-3-carboxamide
SMILESC=CCn1nnc(NC(=O)c2cccnc2)n1
InChIInChI=1S/C10H10N6O/c1-2-6-16-14-10(13-15-16)12-9(17)8-4-3-5-11-7-8/h2-5,7H,1,6H2,(H,12,14,17)
InChIKeyIJFXKVCDJGAIHC-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.51
Rot. Bonds4

About N-(2-prop-2-enyltetrazol-5-yl)pyridine-3-carboxamide

N-(2-prop-2-enyltetrazol-5-yl)pyridine-3-carboxamide (PubChem CID 17027338) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is N-(2-prop-2-enyltetrazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-prop-2-enyltetrazol-5-yl)pyridine-3-carboxamide
PubChem CID17027338
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC NameN-(2-prop-2-enyltetrazol-5-yl)pyridine-3-carboxamide
SMILESC=CCn1nnc(NC(=O)c2cccnc2)n1
InChIInChI=1S/C10H10N6O/c1-2-6-16-14-10(13-15-16)12-9(17)8-4-3-5-11-7-8/h2-5,7H,1,6H2,(H,12,14,17)
InChIKeyIJFXKVCDJGAIHC-UHFFFAOYSA-N
XLogP0.51
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(benzotriazol-2-ylmethyl)pyridine-3-carboxamide
CID 100991974
N-(1,3,5-triazin-2-yl)pyridine-3-carboxamide
CID 70617129
prop-2-enyl N-[2-(pyridine-3-carbonylamino)ethyl]carbamate
CID 108570449
1-prop-2-enyl-3-(pyridine-3-carbonylamino)urea
CID 23300028
N-pyridazin-3-ylpyridine-3-carboxamide
CID 127108426
N-[2-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925424
N-(imidazol-1-ylmethyl)pyridine-3-carboxamide
CID 86179423
N-(1-ethylpyrazol-3-yl)pyridine-3-carboxamide
CID 35286222
N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 17444447
N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]pyridine-3-carboxamide
CID 16762672
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
N-(prop-2-enylideneamino)pyridine-3-carboxamide
CID 4591479

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-enyltetrazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-prop-2-enyltetrazol-5-yl)pyridine-3-carboxamide (CID 17027338) is N-(2-prop-2-enyltetrazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-prop-2-enyltetrazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-prop-2-enyltetrazol-5-yl)pyridine-3-carboxamide is C=CCn1nnc(NC(=O)c2cccnc2)n1.
What is the InChIKey of N-(2-prop-2-enyltetrazol-5-yl)pyridine-3-carboxamide?
The InChIKey is IJFXKVCDJGAIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O/c1-2-6-16-14-10(13-15-16)12-9(17)8-4-3-5-11-7-8/h2-5,7H,1,6H2,(H,12,14,17).
What are the key properties of N-(2-prop-2-enyltetrazol-5-yl)pyridine-3-carboxamide?
N-(2-prop-2-enyltetrazol-5-yl)pyridine-3-carboxamide has a molecular weight of 230.23 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-enyltetrazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 17027338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).