1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide

C16H15N3O — CID 162366446

IUPAC1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCc1ccc(Cn2ccc3ccc(C(N)=O)nc32)cc1
InChIInChI=1S/C16H15N3O/c1-11-2-4-12(5-3-11)10-19-9-8-13-6-7-14(15(17)20)18-16(13)19/h2-9H,10H2,1H3,(H2,17,20)
InChIKeyXSMSADVSNPCMAM-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.49
Rot. Bonds3

About 1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide

1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 162366446) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID162366446
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCc1ccc(Cn2ccc3ccc(C(N)=O)nc32)cc1
InChIInChI=1S/C16H15N3O/c1-11-2-4-12(5-3-11)10-19-9-8-13-6-7-14(15(17)20)18-16(13)19/h2-9H,10H2,1H3,(H2,17,20)
InChIKeyXSMSADVSNPCMAM-UHFFFAOYSA-N
XLogP2.49
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide (CID 162366446) is 1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide is Cc1ccc(Cn2ccc3ccc(C(N)=O)nc32)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is XSMSADVSNPCMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-2-4-12(5-3-11)10-19-9-8-13-6-7-14(15(17)20)18-16(13)19/h2-9H,10H2,1H3,(H2,17,20).
What are the key properties of 1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?
1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 162366446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).