3-amino-N-[(1S,2R)-2-ethynylcyclopentyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

C16H17N5O2 — CID 121351047

IUPAC3-amino-N-[(1S,2R)-2-ethynylcyclopentyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESC#C[C@H]1CCC[C@@H]1NC(=O)c1nc(C)c(-c2ncco2)nc1N
InChIInChI=1S/C16H17N5O2/c1-3-10-5-4-6-11(10)20-15(22)13-14(17)21-12(9(2)19-13)16-18-7-8-23-16/h1,7-8,10-11H,4-6H2,2H3,(H2,17,21)(H,20,22)/t10-,11-/m0/s1
InChIKeyLRNQTTXWLSXPMO-QWRGUYRKSA-N
MW311.35 g/mol
LogP1.55
Rot. Bonds3

About 3-amino-N-[(1S,2R)-2-ethynylcyclopentyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

3-amino-N-[(1S,2R)-2-ethynylcyclopentyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 121351047) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 3-amino-N-[(1S,2R)-2-ethynylcyclopentyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1S,2R)-2-ethynylcyclopentyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID121351047
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name3-amino-N-[(1S,2R)-2-ethynylcyclopentyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESC#C[C@H]1CCC[C@@H]1NC(=O)c1nc(C)c(-c2ncco2)nc1N
InChIInChI=1S/C16H17N5O2/c1-3-10-5-4-6-11(10)20-15(22)13-14(17)21-12(9(2)19-13)16-18-7-8-23-16/h1,7-8,10-11H,4-6H2,2H3,(H2,17,21)(H,20,22)/t10-,11-/m0/s1
InChIKeyLRNQTTXWLSXPMO-QWRGUYRKSA-N
XLogP1.55
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-amino-N-[(1S,2R)-2-ethynylcyclopentyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-(2-fluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351048
3-amino-N-(4-hydroxycycloheptyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351083
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-piperidin-3-ylpyrazine-2-carboxamide
CID 121351206
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide
CID 121351019
acetylene;3-amino-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 145085933
3-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351038
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(1,2-oxazol-5-ylmethyl)pyrazine-2-carboxamide
CID 121351203
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 121351154
3-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351318
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrazine-2-carboxamide
CID 121351359
3-amino-N-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351365
3-amino-N-methoxy-N,6-dimethyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121350983

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1S,2R)-2-ethynylcyclopentyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(1S,2R)-2-ethynylcyclopentyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 121351047) is 3-amino-N-[(1S,2R)-2-ethynylcyclopentyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(1S,2R)-2-ethynylcyclopentyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(1S,2R)-2-ethynylcyclopentyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is C#C[C@H]1CCC[C@@H]1NC(=O)c1nc(C)c(-c2ncco2)nc1N.
What is the InChIKey of 3-amino-N-[(1S,2R)-2-ethynylcyclopentyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is LRNQTTXWLSXPMO-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-3-10-5-4-6-11(10)20-15(22)13-14(17)21-12(9(2)19-13)16-18-7-8-23-16/h1,7-8,10-11H,4-6H2,2H3,(H2,17,21)(H,20,22)/t10-,11-/m0/s1.
What are the key properties of 3-amino-N-[(1S,2R)-2-ethynylcyclopentyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[(1S,2R)-2-ethynylcyclopentyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1S,2R)-2-ethynylcyclopentyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 121351047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).