N-methyl-N-[(2S)-1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]-1H-indole-7-carboxamide

C26H26N4O2 — CID 59475209

IUPACN-methyl-N-[(2S)-1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]-1H-indole-7-carboxamide
SMILESCN(C(=O)c1cccc2cc[nH]c12)[C@H](CCNC(=O)c1ccccn1)Cc1ccccc1
InChIInChI=1S/C26H26N4O2/c1-30(26(32)22-11-7-10-20-13-16-28-24(20)22)21(18-19-8-3-2-4-9-19)14-17-29-25(31)23-12-5-6-15-27-23/h2-13,15-16,21,28H,14,17-18H2,1H3,(H,29,31)/t21-/m1/s1
InChIKeyZWCRHGRKXLFSQM-OAQYLSRUSA-N
MW426.52 g/mol
LogP4.07
Rot. Bonds8

About N-methyl-N-[(2S)-1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]-1H-indole-7-carboxamide

N-methyl-N-[(2S)-1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]-1H-indole-7-carboxamide (PubChem CID 59475209) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-methyl-N-[(2S)-1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]-1H-indole-7-carboxamide
PubChem CID59475209
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-methyl-N-[(2S)-1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]-1H-indole-7-carboxamide
SMILESCN(C(=O)c1cccc2cc[nH]c12)[C@H](CCNC(=O)c1ccccn1)Cc1ccccc1
InChIInChI=1S/C26H26N4O2/c1-30(26(32)22-11-7-10-20-13-16-28-24(20)22)21(18-19-8-3-2-4-9-19)14-17-29-25(31)23-12-5-6-15-27-23/h2-13,15-16,21,28H,14,17-18H2,1H3,(H,29,31)/t21-/m1/s1
InChIKeyZWCRHGRKXLFSQM-OAQYLSRUSA-N
XLogP4.07
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]-1H-indole-7-carboxamide?
The IUPAC name of N-methyl-N-[(2S)-1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]-1H-indole-7-carboxamide (CID 59475209) is N-methyl-N-[(2S)-1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-methyl-N-[(2S)-1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]-1H-indole-7-carboxamide?
The canonical SMILES for N-methyl-N-[(2S)-1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]-1H-indole-7-carboxamide is CN(C(=O)c1cccc2cc[nH]c12)[C@H](CCNC(=O)c1ccccn1)Cc1ccccc1.
What is the InChIKey of N-methyl-N-[(2S)-1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]-1H-indole-7-carboxamide?
The InChIKey is ZWCRHGRKXLFSQM-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-30(26(32)22-11-7-10-20-13-16-28-24(20)22)21(18-19-8-3-2-4-9-19)14-17-29-25(31)23-12-5-6-15-27-23/h2-13,15-16,21,28H,14,17-18H2,1H3,(H,29,31)/t21-/m1/s1.
What are the key properties of N-methyl-N-[(2S)-1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]-1H-indole-7-carboxamide?
N-methyl-N-[(2S)-1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]-1H-indole-7-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]-1H-indole-7-carboxamide is sourced from PubChem (CID 59475209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).