N-[(2S)-1-(azepan-1-yl)propan-2-yl]-6-(dimethylamino)-1H-indole-2-carboxamide

C20H30N4O — CID 92581948

IUPACN-[(2S)-1-(azepan-1-yl)propan-2-yl]-6-(dimethylamino)-1H-indole-2-carboxamide
SMILESC[C@@H](CN1CCCCCC1)NC(=O)c1cc2ccc(N(C)C)cc2[nH]1
InChIInChI=1S/C20H30N4O/c1-15(14-24-10-6-4-5-7-11-24)21-20(25)19-12-16-8-9-17(23(2)3)13-18(16)22-19/h8-9,12-13,15,22H,4-7,10-11,14H2,1-3H3,(H,21,25)/t15-/m0/s1
InChIKeyXTOSTLPCYIRVFO-HNNXBMFYSA-N
MW342.49 g/mol
LogP3.23
Rot. Bonds5

About N-[(2S)-1-(azepan-1-yl)propan-2-yl]-6-(dimethylamino)-1H-indole-2-carboxamide

N-[(2S)-1-(azepan-1-yl)propan-2-yl]-6-(dimethylamino)-1H-indole-2-carboxamide (PubChem CID 92581948) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[(2S)-1-(azepan-1-yl)propan-2-yl]-6-(dimethylamino)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(azepan-1-yl)propan-2-yl]-6-(dimethylamino)-1H-indole-2-carboxamide
PubChem CID92581948
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC NameN-[(2S)-1-(azepan-1-yl)propan-2-yl]-6-(dimethylamino)-1H-indole-2-carboxamide
SMILESC[C@@H](CN1CCCCCC1)NC(=O)c1cc2ccc(N(C)C)cc2[nH]1
InChIInChI=1S/C20H30N4O/c1-15(14-24-10-6-4-5-7-11-24)21-20(25)19-12-16-8-9-17(23(2)3)13-18(16)22-19/h8-9,12-13,15,22H,4-7,10-11,14H2,1-3H3,(H,21,25)/t15-/m0/s1
InChIKeyXTOSTLPCYIRVFO-HNNXBMFYSA-N
XLogP3.23
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(dimethylamino)-1H-indole-2-carboxylic acid;hydrochloride
CID 17389553
6-(dimethylamino)-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 44556230
N-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1H-indole-2-carboxamide
CID 53470148
6-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847855
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CID 81042932
2-hydrazinyl-5-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 62511679
3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 107703759
N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide
CID 107025389
3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 54937836
2-hydroxy-3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217194
3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
CID 119851488
6-methyl-4-oxo-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyridine-3-carboxamide
CID 103717573

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(azepan-1-yl)propan-2-yl]-6-(dimethylamino)-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-1-(azepan-1-yl)propan-2-yl]-6-(dimethylamino)-1H-indole-2-carboxamide (CID 92581948) is N-[(2S)-1-(azepan-1-yl)propan-2-yl]-6-(dimethylamino)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(azepan-1-yl)propan-2-yl]-6-(dimethylamino)-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(azepan-1-yl)propan-2-yl]-6-(dimethylamino)-1H-indole-2-carboxamide is C[C@@H](CN1CCCCCC1)NC(=O)c1cc2ccc(N(C)C)cc2[nH]1.
What is the InChIKey of N-[(2S)-1-(azepan-1-yl)propan-2-yl]-6-(dimethylamino)-1H-indole-2-carboxamide?
The InChIKey is XTOSTLPCYIRVFO-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-15(14-24-10-6-4-5-7-11-24)21-20(25)19-12-16-8-9-17(23(2)3)13-18(16)22-19/h8-9,12-13,15,22H,4-7,10-11,14H2,1-3H3,(H,21,25)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(azepan-1-yl)propan-2-yl]-6-(dimethylamino)-1H-indole-2-carboxamide?
N-[(2S)-1-(azepan-1-yl)propan-2-yl]-6-(dimethylamino)-1H-indole-2-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(azepan-1-yl)propan-2-yl]-6-(dimethylamino)-1H-indole-2-carboxamide is sourced from PubChem (CID 92581948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).