acetylene;3-amino-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

C20H19N5O2 — CID 145085933

IUPACacetylene;3-amino-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESC#C.Cc1nc(C(=O)N[C@@H]2CCc3ccccc32)c(N)nc1-c1ncco1
InChIInChI=1S/C18H17N5O2.C2H2/c1-10-14(18-20-8-9-25-18)23-16(19)15(21-10)17(24)22-13-7-6-11-4-2-3-5-12(11)13;1-2/h2-5,8-9,13H,6-7H2,1H3,(H2,19,23)(H,22,24);1-2H/t13-;/m1./s1
InChIKeyNGYKANCTXSTJHP-BTQNPOSSSA-N
MW361.41 g/mol
LogP2.69
Rot. Bonds3

About acetylene;3-amino-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

acetylene;3-amino-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 145085933) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is acetylene;3-amino-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Nameacetylene;3-amino-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID145085933
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Nameacetylene;3-amino-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESC#C.Cc1nc(C(=O)N[C@@H]2CCc3ccccc32)c(N)nc1-c1ncco1
InChIInChI=1S/C18H17N5O2.C2H2/c1-10-14(18-20-8-9-25-18)23-16(19)15(21-10)17(24)22-13-7-6-11-4-2-3-5-12(11)13;1-2/h2-5,8-9,13H,6-7H2,1H3,(H2,19,23)(H,22,24);1-2H/t13-;/m1./s1
InChIKeyNGYKANCTXSTJHP-BTQNPOSSSA-N
XLogP2.69
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide
CID 121351019
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-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-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 121351154
3-amino-6-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(triazol-2-yl)pyrazine-2-carboxamide
CID 121351001
N-(2,3-dihydro-1H-inden-1-yl)-2-methylfuran-3-carboxamide
CID 47015555
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 126432000
N-(2,3-dihydro-1H-inden-1-yl)-3-(2-methylpyrimidin-4-yl)-6-oxo-1H-pyridazine-5-carboxamide
CID 69362975
6-(2-aminopyrimidin-5-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 125010026
2-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 62072951
2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87543958

Frequently Asked Questions

What is the IUPAC name of acetylene;3-amino-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 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) is acetylene;3-amino-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for acetylene;3-amino-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for acetylene;3-amino-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is C#C.Cc1nc(C(=O)N[C@@H]2CCc3ccccc32)c(N)nc1-c1ncco1.
What is the InChIKey of acetylene;3-amino-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is NGYKANCTXSTJHP-BTQNPOSSSA-N. The full InChI is InChI=1S/C18H17N5O2.C2H2/c1-10-14(18-20-8-9-25-18)23-16(19)15(21-10)17(24)22-13-7-6-11-4-2-3-5-12(11)13;1-2/h2-5,8-9,13H,6-7H2,1H3,(H2,19,23)(H,22,24);1-2H/t13-;/m1./s1.
What are the key properties of acetylene;3-amino-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
acetylene;3-amino-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;3-amino-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 145085933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).