4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide

C23H22N4O — CID 18832718

IUPAC4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide
SMILESCc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)Nc3ccncc3)c2c1
InChIInChI=1S/C23H22N4O/c1-16-8-9-20-19(15-16)18(23(27-20)21-6-2-3-12-25-21)5-4-7-22(28)26-17-10-13-24-14-11-17/h2-3,6,8-15,27H,4-5,7H2,1H3,(H,24,26,28)
InChIKeyBRVQCHFBPFZPTF-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.89
Rot. Bonds6

About 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide

4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide (PubChem CID 18832718) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide
PubChem CID18832718
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide
SMILESCc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)Nc3ccncc3)c2c1
InChIInChI=1S/C23H22N4O/c1-16-8-9-20-19(15-16)18(23(27-20)21-6-2-3-12-25-21)5-4-7-22(28)26-17-10-13-24-14-11-17/h2-3,6,8-15,27H,4-5,7H2,1H3,(H,24,26,28)
InChIKeyBRVQCHFBPFZPTF-UHFFFAOYSA-N
XLogP4.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide?
The IUPAC name of 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide (CID 18832718) is 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide.
What is the SMILES notation for 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide?
The canonical SMILES for 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide is Cc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)Nc3ccncc3)c2c1.
What is the InChIKey of 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide?
The InChIKey is BRVQCHFBPFZPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-16-8-9-20-19(15-16)18(23(27-20)21-6-2-3-12-25-21)5-4-7-22(28)26-17-10-13-24-14-11-17/h2-3,6,8-15,27H,4-5,7H2,1H3,(H,24,26,28).
What are the key properties of 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide?
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide has a molecular weight of 370.46 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide is sourced from PubChem (CID 18832718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).