N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propanamide

C14H20N6O2 — CID 167885182

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propanamide
SMILESCc1cc(NC(=O)C(C)NC2CCc3nnc(C)n3C2)no1
InChIInChI=1S/C14H20N6O2/c1-8-6-12(19-22-8)16-14(21)9(2)15-11-4-5-13-18-17-10(3)20(13)7-11/h6,9,11,15H,4-5,7H2,1-3H3,(H,16,19,21)
InChIKeyXPQZLGSRQUNNEN-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.81
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propanamide (PubChem CID 167885182) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propanamide
PubChem CID167885182
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propanamide
SMILESCc1cc(NC(=O)C(C)NC2CCc3nnc(C)n3C2)no1
InChIInChI=1S/C14H20N6O2/c1-8-6-12(19-22-8)16-14(21)9(2)15-11-4-5-13-18-17-10(3)20(13)7-11/h6,9,11,15H,4-5,7H2,1-3H3,(H,16,19,21)
InChIKeyXPQZLGSRQUNNEN-UHFFFAOYSA-N
XLogP0.81
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propanamide with MolForge

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Related Compounds

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide
CID 95313587
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]butanamide
CID 98732175
(2S)-2-[[(3R)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95308444
(2R)-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95308445
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide
CID 95758088
(3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)piperidine-1-carboxamide
CID 94798808
N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 112507096
2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51242524
2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46622299
2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17408045
(2R)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40714205
tert-butyl 4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate
CID 110624102

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propanamide (CID 167885182) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propanamide is Cc1cc(NC(=O)C(C)NC2CCc3nnc(C)n3C2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propanamide?
The InChIKey is XPQZLGSRQUNNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-8-6-12(19-22-8)16-14(21)9(2)15-11-4-5-13-18-17-10(3)20(13)7-11/h6,9,11,15H,4-5,7H2,1-3H3,(H,16,19,21).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propanamide has a molecular weight of 304.35 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propanamide is sourced from PubChem (CID 167885182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).