6-amino-N,N-bis(2-cyanoethyl)-1H-indole-3-carboxamide

C15H15N5O — CID 61116492

IUPAC6-amino-N,N-bis(2-cyanoethyl)-1H-indole-3-carboxamide
SMILESN#CCCN(CCC#N)C(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C15H15N5O/c16-5-1-7-20(8-2-6-17)15(21)13-10-19-14-9-11(18)3-4-12(13)14/h3-4,9-10,19H,1-2,7-8,18H2
InChIKeyBHUIEBPGOTXPCY-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.02
Rot. Bonds5

About 6-amino-N,N-bis(2-cyanoethyl)-1H-indole-3-carboxamide

6-amino-N,N-bis(2-cyanoethyl)-1H-indole-3-carboxamide (PubChem CID 61116492) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-amino-N,N-bis(2-cyanoethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N,N-bis(2-cyanoethyl)-1H-indole-3-carboxamide
PubChem CID61116492
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name6-amino-N,N-bis(2-cyanoethyl)-1H-indole-3-carboxamide
SMILESN#CCCN(CCC#N)C(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C15H15N5O/c16-5-1-7-20(8-2-6-17)15(21)13-10-19-14-9-11(18)3-4-12(13)14/h3-4,9-10,19H,1-2,7-8,18H2
InChIKeyBHUIEBPGOTXPCY-UHFFFAOYSA-N
XLogP2.02
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-N,N-bis(cyanomethyl)-1H-indole-3-carboxamide
CID 61090071
6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide
CID 61094974
6-amino-N-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-3-carboxamide
CID 63694066
6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 79471867
6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide
CID 62334013
6-amino-N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-3-carboxamide
CID 61138342
6-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 114946750
6-amino-N-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 61095235
2-amino-5-chloro-N,N-bis(2-cyanoethyl)benzamide
CID 61114600
1-(6-amino-1H-indol-3-yl)-2-phenylethanone
CID 57257325
(6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106667079
3-(3,5-diaminobenzoyl)-1H-indole-6-carbonitrile
CID 107917677

Frequently Asked Questions

What is the IUPAC name of 6-amino-N,N-bis(2-cyanoethyl)-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N,N-bis(2-cyanoethyl)-1H-indole-3-carboxamide (CID 61116492) is 6-amino-N,N-bis(2-cyanoethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N,N-bis(2-cyanoethyl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N,N-bis(2-cyanoethyl)-1H-indole-3-carboxamide is N#CCCN(CCC#N)C(=O)c1c[nH]c2cc(N)ccc12.
What is the InChIKey of 6-amino-N,N-bis(2-cyanoethyl)-1H-indole-3-carboxamide?
The InChIKey is BHUIEBPGOTXPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c16-5-1-7-20(8-2-6-17)15(21)13-10-19-14-9-11(18)3-4-12(13)14/h3-4,9-10,19H,1-2,7-8,18H2.
What are the key properties of 6-amino-N,N-bis(2-cyanoethyl)-1H-indole-3-carboxamide?
6-amino-N,N-bis(2-cyanoethyl)-1H-indole-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N,N-bis(2-cyanoethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 61116492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).