N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]tetrazolo[1,5-a]pyridine-6-carboxamide

C17H18N6O3 — CID 91783413

IUPACN-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]tetrazolo[1,5-a]pyridine-6-carboxamide
SMILESO=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1ccc2nnnn2c1
InChIInChI=1S/C17H18N6O3/c24-17(12-4-5-16-20-21-22-23(16)9-12)19-14-11-25-8-6-15(14)26-10-13-3-1-2-7-18-13/h1-5,7,9,14-15H,6,8,10-11H2,(H,19,24)/t14-,15-/m1/s1
InChIKeyXGUXIASTESZKAP-HUUCEWRRSA-N
MW354.37 g/mol
LogP0.62
Rot. Bonds5

About N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]tetrazolo[1,5-a]pyridine-6-carboxamide

N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]tetrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 91783413) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]tetrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]tetrazolo[1,5-a]pyridine-6-carboxamide
PubChem CID91783413
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC NameN-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]tetrazolo[1,5-a]pyridine-6-carboxamide
SMILESO=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1ccc2nnnn2c1
InChIInChI=1S/C17H18N6O3/c24-17(12-4-5-16-20-21-22-23(16)9-12)19-14-11-25-8-6-15(14)26-10-13-3-1-2-7-18-13/h1-5,7,9,14-15H,6,8,10-11H2,(H,19,24)/t14-,15-/m1/s1
InChIKeyXGUXIASTESZKAP-HUUCEWRRSA-N
XLogP0.62
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]tetrazolo[1,5-a]pyridine-6-carboxamide with MolForge

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Related Compounds

N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 91777996
3-pyridin-2-yl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide
CID 91783906
2-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]furan-3-carboxamide
CID 91771001
5-(methoxymethyl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-2-carboxamide
CID 91767547
5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide
CID 91784370
3-hydroxy-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyridine-4-carboxamide
CID 91767843
4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide
CID 91763372
2,5-difluoro-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzamide
CID 91771107
1-phenyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]cyclopropane-1-carboxamide
CID 91768818
2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide
CID 164634817
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2H-benzotriazole-5-carboxamide
CID 91772579
4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide
CID 91781998

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]tetrazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]tetrazolo[1,5-a]pyridine-6-carboxamide (CID 91783413) is N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]tetrazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]tetrazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]tetrazolo[1,5-a]pyridine-6-carboxamide is O=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1ccc2nnnn2c1.
What is the InChIKey of N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]tetrazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is XGUXIASTESZKAP-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H18N6O3/c24-17(12-4-5-16-20-21-22-23(16)9-12)19-14-11-25-8-6-15(14)26-10-13-3-1-2-7-18-13/h1-5,7,9,14-15H,6,8,10-11H2,(H,19,24)/t14-,15-/m1/s1.
What are the key properties of N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]tetrazolo[1,5-a]pyridine-6-carboxamide?
N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]tetrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]tetrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 91783413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).