N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indole-5-carboxamide

C22H26N4O — CID 10713693

IUPACN-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indole-5-carboxamide
SMILESCN1CCN(Cc2ccccc2)CC(NC(=O)c2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C22H26N4O/c1-25-11-12-26(14-17-5-3-2-4-6-17)16-20(15-25)24-22(27)19-7-8-21-18(13-19)9-10-23-21/h2-10,13,20,23H,11-12,14-16H2,1H3,(H,24,27)
InChIKeyKRGACEXMERGDNS-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.71
Rot. Bonds4

About N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indole-5-carboxamide

N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indole-5-carboxamide (PubChem CID 10713693) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indole-5-carboxamide
PubChem CID10713693
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indole-5-carboxamide
SMILESCN1CCN(Cc2ccccc2)CC(NC(=O)c2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C22H26N4O/c1-25-11-12-26(14-17-5-3-2-4-6-17)16-20(15-25)24-22(27)19-7-8-21-18(13-19)9-10-23-21/h2-10,13,20,23H,11-12,14-16H2,1H3,(H,24,27)
InChIKeyKRGACEXMERGDNS-UHFFFAOYSA-N
XLogP2.71
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1H-indole-5-carboxamide
CID 110202451
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indole-6-carboxamide
CID 31053727
3-(1H-indol-5-yl)-N-(1-methylpiperidin-3-yl)benzamide
CID 163593437
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-1H-indole-6-carboxamide
CID 95327025
2-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]acetic acid
CID 121494840
N-(2,3-dihydro-1H-inden-2-yl)-1H-indole-5-carboxamide
CID 91395500
N-[1-methyl-4-[[3-(2-oxopropyl)phenyl]methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide
CID 139640143
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-2,3-dihydroindole-1-carboxamide
CID 10808784
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-1H-indole-5-carboxamide
CID 91887791
N-pyrrolidin-3-yl-1H-indole-5-carboxamide
CID 63747913
N-[1-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-1,4-diazepan-6-yl]acetamide
CID 139640142

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indole-5-carboxamide?
The IUPAC name of N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indole-5-carboxamide (CID 10713693) is N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indole-5-carboxamide?
The canonical SMILES for N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indole-5-carboxamide is CN1CCN(Cc2ccccc2)CC(NC(=O)c2ccc3[nH]ccc3c2)C1.
What is the InChIKey of N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indole-5-carboxamide?
The InChIKey is KRGACEXMERGDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-25-11-12-26(14-17-5-3-2-4-6-17)16-20(15-25)24-22(27)19-7-8-21-18(13-19)9-10-23-21/h2-10,13,20,23H,11-12,14-16H2,1H3,(H,24,27).
What are the key properties of N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indole-5-carboxamide?
N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indole-5-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indole-5-carboxamide is sourced from PubChem (CID 10713693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).