N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide

C14H16N4O3S — CID 124760779

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
SMILESCc1noc(CNC(=O)c2ccnc(O[C@H]3CCSC3)c2)n1
InChIInChI=1S/C14H16N4O3S/c1-9-17-13(21-18-9)7-16-14(19)10-2-4-15-12(6-10)20-11-3-5-22-8-11/h2,4,6,11H,3,5,7-8H2,1H3,(H,16,19)/t11-/m0/s1
InChIKeyPDJDKQLRJTUWSY-NSHDSACASA-N
MW320.37 g/mol
LogP1.59
Rot. Bonds5

About N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide (PubChem CID 124760779) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
PubChem CID124760779
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
SMILESCc1noc(CNC(=O)c2ccnc(O[C@H]3CCSC3)c2)n1
InChIInChI=1S/C14H16N4O3S/c1-9-17-13(21-18-9)7-16-14(19)10-2-4-15-12(6-10)20-11-3-5-22-8-11/h2,4,6,11H,3,5,7-8H2,1H3,(H,16,19)/t11-/m0/s1
InChIKeyPDJDKQLRJTUWSY-NSHDSACASA-N
XLogP1.59
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124848421
N-(3-methoxypropyl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100733796
N-(2,2-diethoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100733843
N-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735245
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735623
N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735448
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734697
N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734562
N-(5-methyl-1,3-thiazol-2-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735077
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734053
N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
CID 91815579
N,N,4-trimethyl-2-[[2-[(3R)-thiolan-3-yl]oxypyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 100734902

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide (CID 124760779) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide is Cc1noc(CNC(=O)c2ccnc(O[C@H]3CCSC3)c2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide?
The InChIKey is PDJDKQLRJTUWSY-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-9-17-13(21-18-9)7-16-14(19)10-2-4-15-12(6-10)20-11-3-5-22-8-11/h2,4,6,11H,3,5,7-8H2,1H3,(H,16,19)/t11-/m0/s1.
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide is sourced from PubChem (CID 124760779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).