N-[(4S)-2,2-dimethyloxan-4-yl]tetrazolo[1,5-a]pyridine-6-carboxamide

C13H17N5O2 — CID 96557415

IUPACN-[(4S)-2,2-dimethyloxan-4-yl]tetrazolo[1,5-a]pyridine-6-carboxamide
SMILESCC1(C)C[C@@H](NC(=O)c2ccc3nnnn3c2)CCO1
InChIInChI=1S/C13H17N5O2/c1-13(2)7-10(5-6-20-13)14-12(19)9-3-4-11-15-16-17-18(11)8-9/h3-4,8,10H,5-7H2,1-2H3,(H,14,19)/t10-/m0/s1
InChIKeyHYPHSBVPXNUKAE-JTQLQIEISA-N
MW275.31 g/mol
LogP0.81
Rot. Bonds2

About N-[(4S)-2,2-dimethyloxan-4-yl]tetrazolo[1,5-a]pyridine-6-carboxamide

N-[(4S)-2,2-dimethyloxan-4-yl]tetrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 96557415) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(4S)-2,2-dimethyloxan-4-yl]tetrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(4S)-2,2-dimethyloxan-4-yl]tetrazolo[1,5-a]pyridine-6-carboxamide
PubChem CID96557415
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[(4S)-2,2-dimethyloxan-4-yl]tetrazolo[1,5-a]pyridine-6-carboxamide
SMILESCC1(C)C[C@@H](NC(=O)c2ccc3nnnn3c2)CCO1
InChIInChI=1S/C13H17N5O2/c1-13(2)7-10(5-6-20-13)14-12(19)9-3-4-11-15-16-17-18(11)8-9/h3-4,8,10H,5-7H2,1-2H3,(H,14,19)/t10-/m0/s1
InChIKeyHYPHSBVPXNUKAE-JTQLQIEISA-N
XLogP0.81
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(2,2-dimethyloxan-4-yl)pyridazine-3-carboxamide
CID 83033818
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide
CID 83039025
N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridazine-3-carboxamide
CID 83039941
N-[(4S)-2,2-dimethyloxan-4-yl]-5-fluoro-2-(tetrazol-1-yl)benzamide
CID 95391515
N-(2,2-dimethyloxan-4-yl)-6-(propylamino)pyridazine-3-carboxamide
CID 83035650
N-(2,2-dimethyloxan-4-yl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 126768074
6-[(2,2-dimethyloxan-4-yl)amino]pyridine-3-carboxamide
CID 113336597
1-acetyl-N-(2,2-dimethyloxan-4-yl)-2,3-dihydroindole-5-carboxamide
CID 146083815
N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide
CID 115563926
6-bromo-N-(2,2-dimethyloxan-4-yl)pyridine-2-carboxamide
CID 103890092
N-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide
CID 103867319
3-bromo-N-(2,2-dimethyloxan-4-yl)-4-methoxybenzamide
CID 115563924

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2,2-dimethyloxan-4-yl]tetrazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-[(4S)-2,2-dimethyloxan-4-yl]tetrazolo[1,5-a]pyridine-6-carboxamide (CID 96557415) is N-[(4S)-2,2-dimethyloxan-4-yl]tetrazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(4S)-2,2-dimethyloxan-4-yl]tetrazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(4S)-2,2-dimethyloxan-4-yl]tetrazolo[1,5-a]pyridine-6-carboxamide is CC1(C)C[C@@H](NC(=O)c2ccc3nnnn3c2)CCO1.
What is the InChIKey of N-[(4S)-2,2-dimethyloxan-4-yl]tetrazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is HYPHSBVPXNUKAE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N5O2/c1-13(2)7-10(5-6-20-13)14-12(19)9-3-4-11-15-16-17-18(11)8-9/h3-4,8,10H,5-7H2,1-2H3,(H,14,19)/t10-/m0/s1.
What are the key properties of N-[(4S)-2,2-dimethyloxan-4-yl]tetrazolo[1,5-a]pyridine-6-carboxamide?
N-[(4S)-2,2-dimethyloxan-4-yl]tetrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2,2-dimethyloxan-4-yl]tetrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 96557415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).