carbon dioxide;ethane;3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;molecular hydrogen;1,4-xylene

C22H33N3O2 — CID 144894365

IUPACcarbon dioxide;ethane;3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;molecular hydrogen;1,4-xylene
SMILESCC.Cc1c[nH]c2ncc(NC(C)C)cc12.Cc1ccc(C)cc1.O=C=O.[H][H]
InChIInChI=1S/C11H15N3.C8H10.C2H6.CO2.H2/c1-7(2)14-9-4-10-8(3)5-12-11(10)13-6-9;1-7-3-5-8(2)6-4-7;1-2;2-1-3;/h4-7,14H,1-3H3,(H,12,13);3-6H,1-2H3;1-2H3;;1H
InChIKeyOYCWUUOMZPTQGL-UHFFFAOYSA-N
MW371.53 g/mol
LogP5.68
Rot. Bonds2

About carbon dioxide;ethane;3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;molecular hydrogen;1,4-xylene

carbon dioxide;ethane;3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;molecular hydrogen;1,4-xylene (PubChem CID 144894365) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is carbon dioxide;ethane;3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;molecular hydrogen;1,4-xylene.

Molecular Properties

Compound Namecarbon dioxide;ethane;3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;molecular hydrogen;1,4-xylene
PubChem CID144894365
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Namecarbon dioxide;ethane;3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;molecular hydrogen;1,4-xylene
SMILESCC.Cc1c[nH]c2ncc(NC(C)C)cc12.Cc1ccc(C)cc1.O=C=O.[H][H]
InChIInChI=1S/C11H15N3.C8H10.C2H6.CO2.H2/c1-7(2)14-9-4-10-8(3)5-12-11(10)13-6-9;1-7-3-5-8(2)6-4-7;1-2;2-1-3;/h4-7,14H,1-3H3,(H,12,13);3-6H,1-2H3;1-2H3;;1H
InChIKeyOYCWUUOMZPTQGL-UHFFFAOYSA-N
XLogP5.68
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.53
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;ethane;3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;molecular hydrogen;1,4-xylene?
The IUPAC name of carbon dioxide;ethane;3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;molecular hydrogen;1,4-xylene (CID 144894365) is carbon dioxide;ethane;3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;molecular hydrogen;1,4-xylene.
What is the SMILES notation for carbon dioxide;ethane;3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;molecular hydrogen;1,4-xylene?
The canonical SMILES for carbon dioxide;ethane;3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;molecular hydrogen;1,4-xylene is CC.Cc1c[nH]c2ncc(NC(C)C)cc12.Cc1ccc(C)cc1.O=C=O.[H][H].
What is the InChIKey of carbon dioxide;ethane;3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;molecular hydrogen;1,4-xylene?
The InChIKey is OYCWUUOMZPTQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.C8H10.C2H6.CO2.H2/c1-7(2)14-9-4-10-8(3)5-12-11(10)13-6-9;1-7-3-5-8(2)6-4-7;1-2;2-1-3;/h4-7,14H,1-3H3,(H,12,13);3-6H,1-2H3;1-2H3;;1H.
What are the key properties of carbon dioxide;ethane;3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;molecular hydrogen;1,4-xylene?
carbon dioxide;ethane;3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;molecular hydrogen;1,4-xylene has a molecular weight of 371.53 g/mol, XLogP of 5.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;ethane;3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;molecular hydrogen;1,4-xylene is sourced from PubChem (CID 144894365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).