N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-indazole-3-carboxamide

C19H20N4O3 — CID 91764518

IUPACN-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-indazole-3-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1n[nH]c2ccccc12
InChIInChI=1S/C19H20N4O3/c24-19(18-14-6-1-2-7-15(14)22-23-18)21-16-8-10-25-12-17(16)26-11-13-5-3-4-9-20-13/h1-7,9,16-17H,8,10-12H2,(H,21,24)(H,22,23)/t16-,17-/m1/s1
InChIKeyHCAZNTHIGQMVEE-IAGOWNOFSA-N
MW352.39 g/mol
LogP2.06
Rot. Bonds5

About N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-indazole-3-carboxamide

N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-indazole-3-carboxamide (PubChem CID 91764518) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-indazole-3-carboxamide
PubChem CID91764518
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-indazole-3-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1n[nH]c2ccccc12
InChIInChI=1S/C19H20N4O3/c24-19(18-14-6-1-2-7-15(14)22-23-18)21-16-8-10-25-12-17(16)26-11-13-5-3-4-9-20-13/h1-7,9,16-17H,8,10-12H2,(H,21,24)(H,22,23)/t16-,17-/m1/s1
InChIKeyHCAZNTHIGQMVEE-IAGOWNOFSA-N
XLogP2.06
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide
CID 91779690
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2H-benzotriazole-5-carboxamide
CID 91772579
3-cyclopropyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-4-carboxamide
CID 91786206
2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91767025
2-ethoxy-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyridine-3-carboxamide
CID 91764796
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 91777996
2-(1,3-benzodioxol-5-yl)-N-[3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 156609865
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide
CID 91759680
3-ethyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,2-oxazole-4-carboxamide
CID 91797644
5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide
CID 91784370
4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide
CID 91763372
3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide
CID 91768844

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-indazole-3-carboxamide (CID 91764518) is N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-indazole-3-carboxamide is O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-indazole-3-carboxamide?
The InChIKey is HCAZNTHIGQMVEE-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-19(18-14-6-1-2-7-15(14)22-23-18)21-16-8-10-25-12-17(16)26-11-13-5-3-4-9-20-13/h1-7,9,16-17H,8,10-12H2,(H,21,24)(H,22,23)/t16-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-indazole-3-carboxamide?
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-indazole-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 91764518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).