N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide

C18H16N4O — CID 86299973

IUPACN-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide
SMILESCCC#CC(=O)Nc1cccc(-c2cnc3[nH]cc(C)c3c2)n1
InChIInChI=1S/C18H16N4O/c1-3-4-8-17(23)22-16-7-5-6-15(21-16)13-9-14-12(2)10-19-18(14)20-11-13/h5-7,9-11H,3H2,1-2H3,(H,19,20)(H,21,22,23)
InChIKeyOOOQAVNQHIRWMO-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.29
Rot. Bonds2

About N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide

N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide (PubChem CID 86299973) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide.

Molecular Properties

Compound NameN-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide
PubChem CID86299973
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide
SMILESCCC#CC(=O)Nc1cccc(-c2cnc3[nH]cc(C)c3c2)n1
InChIInChI=1S/C18H16N4O/c1-3-4-8-17(23)22-16-7-5-6-15(21-16)13-9-14-12(2)10-19-18(14)20-11-13/h5-7,9-11H,3H2,1-2H3,(H,19,20)(H,21,22,23)
InChIKeyOOOQAVNQHIRWMO-UHFFFAOYSA-N
XLogP3.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide?
The IUPAC name of N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide (CID 86299973) is N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide.
What is the SMILES notation for N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide?
The canonical SMILES for N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide is CCC#CC(=O)Nc1cccc(-c2cnc3[nH]cc(C)c3c2)n1.
What is the InChIKey of N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide?
The InChIKey is OOOQAVNQHIRWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-3-4-8-17(23)22-16-7-5-6-15(21-16)13-9-14-12(2)10-19-18(14)20-11-13/h5-7,9-11H,3H2,1-2H3,(H,19,20)(H,21,22,23).
What are the key properties of N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide?
N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide has a molecular weight of 304.35 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide is sourced from PubChem (CID 86299973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).