2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-ylbenzamide

C19H22N4O — CID 146537041

IUPAC2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-ylbenzamide
SMILESCN(C)C(=O)c1cc(-c2cnc3c(c2)C2(CCC2)CN3)ccc1N
InChIInChI=1S/C19H22N4O/c1-23(2)18(24)14-8-12(4-5-16(14)20)13-9-15-17(21-10-13)22-11-19(15)6-3-7-19/h4-5,8-10H,3,6-7,11,20H2,1-2H3,(H,21,22)
InChIKeyCWRLRGAKVCPJBJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.88
Rot. Bonds2

About 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-ylbenzamide

2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-ylbenzamide (PubChem CID 146537041) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-ylbenzamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-ylbenzamide
PubChem CID146537041
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-ylbenzamide
SMILESCN(C)C(=O)c1cc(-c2cnc3c(c2)C2(CCC2)CN3)ccc1N
InChIInChI=1S/C19H22N4O/c1-23(2)18(24)14-8-12(4-5-16(14)20)13-9-15-17(21-10-13)22-11-19(15)6-3-7-19/h4-5,8-10H,3,6-7,11,20H2,1-2H3,(H,21,22)
InChIKeyCWRLRGAKVCPJBJ-UHFFFAOYSA-N
XLogP2.88
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-ylbenzamide?
The IUPAC name of 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-ylbenzamide (CID 146537041) is 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-ylbenzamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-ylbenzamide?
The canonical SMILES for 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-ylbenzamide is CN(C)C(=O)c1cc(-c2cnc3c(c2)C2(CCC2)CN3)ccc1N.
What is the InChIKey of 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-ylbenzamide?
The InChIKey is CWRLRGAKVCPJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-23(2)18(24)14-8-12(4-5-16(14)20)13-9-15-17(21-10-13)22-11-19(15)6-3-7-19/h4-5,8-10H,3,6-7,11,20H2,1-2H3,(H,21,22).
What are the key properties of 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-ylbenzamide?
2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-ylbenzamide has a molecular weight of 322.41 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-ylbenzamide is sourced from PubChem (CID 146537041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).