N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-propan-2-ylindole-6-carboxamide

C23H25N3O2 — CID 58328294

IUPACN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-propan-2-ylindole-6-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc2ccn(C(C)C)c2c1
InChIInChI=1S/C23H25N3O2/c1-14(2)26-11-10-16-6-7-18(13-21(16)26)23(28)25-20-12-17(5-4-15(20)3)22(27)24-19-8-9-19/h4-7,10-14,19H,8-9H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyXALOBQSJVMLOIC-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.68
Rot. Bonds5

About N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-propan-2-ylindole-6-carboxamide

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-propan-2-ylindole-6-carboxamide (PubChem CID 58328294) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-propan-2-ylindole-6-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-propan-2-ylindole-6-carboxamide
PubChem CID58328294
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-propan-2-ylindole-6-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc2ccn(C(C)C)c2c1
InChIInChI=1S/C23H25N3O2/c1-14(2)26-11-10-16-6-7-18(13-21(16)26)23(28)25-20-12-17(5-4-15(20)3)22(27)24-19-8-9-19/h4-7,10-14,19H,8-9H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyXALOBQSJVMLOIC-UHFFFAOYSA-N
XLogP4.68
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-propan-2-ylindole-6-carboxamide?
The IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-propan-2-ylindole-6-carboxamide (CID 58328294) is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-propan-2-ylindole-6-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-propan-2-ylindole-6-carboxamide?
The canonical SMILES for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-propan-2-ylindole-6-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc2ccn(C(C)C)c2c1.
What is the InChIKey of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-propan-2-ylindole-6-carboxamide?
The InChIKey is XALOBQSJVMLOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-14(2)26-11-10-16-6-7-18(13-21(16)26)23(28)25-20-12-17(5-4-15(20)3)22(27)24-19-8-9-19/h4-7,10-14,19H,8-9H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-propan-2-ylindole-6-carboxamide?
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-propan-2-ylindole-6-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-propan-2-ylindole-6-carboxamide is sourced from PubChem (CID 58328294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).