1,4-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide

C23H24N4O — CID 158446862

IUPAC1,4-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide
SMILESCc1cc(C(=O)NCCCc2ccc(-c3cnc4[nH]ccc4c3)cc2)n(C)c1
InChIInChI=1S/C23H24N4O/c1-16-12-21(27(2)15-16)23(28)25-10-3-4-17-5-7-18(8-6-17)20-13-19-9-11-24-22(19)26-14-20/h5-9,11-15H,3-4,10H2,1-2H3,(H,24,26)(H,25,28)
InChIKeySCIZBDYDQMSQKD-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.24
Rot. Bonds6

About 1,4-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide

1,4-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide (PubChem CID 158446862) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 1,4-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1,4-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide
PubChem CID158446862
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1,4-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide
SMILESCc1cc(C(=O)NCCCc2ccc(-c3cnc4[nH]ccc4c3)cc2)n(C)c1
InChIInChI=1S/C23H24N4O/c1-16-12-21(27(2)15-16)23(28)25-10-3-4-17-5-7-18(8-6-17)20-13-19-9-11-24-22(19)26-14-20/h5-9,11-15H,3-4,10H2,1-2H3,(H,24,26)(H,25,28)
InChIKeySCIZBDYDQMSQKD-UHFFFAOYSA-N
XLogP4.24
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide?
The IUPAC name of 1,4-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide (CID 158446862) is 1,4-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1,4-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide?
The canonical SMILES for 1,4-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide is Cc1cc(C(=O)NCCCc2ccc(-c3cnc4[nH]ccc4c3)cc2)n(C)c1.
What is the InChIKey of 1,4-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide?
The InChIKey is SCIZBDYDQMSQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-12-21(27(2)15-16)23(28)25-10-3-4-17-5-7-18(8-6-17)20-13-19-9-11-24-22(19)26-14-20/h5-9,11-15H,3-4,10H2,1-2H3,(H,24,26)(H,25,28).
What are the key properties of 1,4-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide?
1,4-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide is sourced from PubChem (CID 158446862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).