N,N-dimethyl-5-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C18H17N3O2 — CID 58564616

IUPACN,N-dimethyl-5-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc2cc(CC(=O)c3ccccc3)cnc2[nH]1
InChIInChI=1S/C18H17N3O2/c1-21(2)18(23)15-10-14-8-12(11-19-17(14)20-15)9-16(22)13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3,(H,19,20)
InChIKeySIGJIFNPYYUVTP-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.69
Rot. Bonds4

About N,N-dimethyl-5-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N,N-dimethyl-5-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 58564616) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N,N-dimethyl-5-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID58564616
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN,N-dimethyl-5-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc2cc(CC(=O)c3ccccc3)cnc2[nH]1
InChIInChI=1S/C18H17N3O2/c1-21(2)18(23)15-10-14-8-12(11-19-17(14)20-15)9-16(22)13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3,(H,19,20)
InChIKeySIGJIFNPYYUVTP-UHFFFAOYSA-N
XLogP2.69
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 58564616) is N,N-dimethyl-5-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is CN(C)C(=O)c1cc2cc(CC(=O)c3ccccc3)cnc2[nH]1.
What is the InChIKey of N,N-dimethyl-5-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is SIGJIFNPYYUVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-21(2)18(23)15-10-14-8-12(11-19-17(14)20-15)9-16(22)13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3,(H,19,20).
What are the key properties of N,N-dimethyl-5-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N,N-dimethyl-5-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 58564616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).