N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1H-indole-6-carboxamide

C20H19N3O2 — CID 58328291

IUPACN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1H-indole-6-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C20H19N3O2/c1-12-2-3-14(19(24)22-16-6-7-16)10-17(12)23-20(25)15-5-4-13-8-9-21-18(13)11-15/h2-5,8-11,16,21H,6-7H2,1H3,(H,22,24)(H,23,25)
InChIKeyBWOIYZBHFKORIS-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.62
Rot. Bonds4

About N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1H-indole-6-carboxamide

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1H-indole-6-carboxamide (PubChem CID 58328291) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1H-indole-6-carboxamide
PubChem CID58328291
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1H-indole-6-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C20H19N3O2/c1-12-2-3-14(19(24)22-16-6-7-16)10-17(12)23-20(25)15-5-4-13-8-9-21-18(13)11-15/h2-5,8-11,16,21H,6-7H2,1H3,(H,22,24)(H,23,25)
InChIKeyBWOIYZBHFKORIS-UHFFFAOYSA-N
XLogP3.62
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1H-indole-6-carboxamide (CID 58328291) is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1H-indole-6-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1H-indole-6-carboxamide?
The InChIKey is BWOIYZBHFKORIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-12-2-3-14(19(24)22-16-6-7-16)10-17(12)23-20(25)15-5-4-13-8-9-21-18(13)11-15/h2-5,8-11,16,21H,6-7H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1H-indole-6-carboxamide?
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1H-indole-6-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 58328291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).