N,N-bis(2-cyanoethyl)-2,3-dihydro-1H-indole-5-carboxamide

C15H16N4O — CID 60953943

IUPACN,N-bis(2-cyanoethyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESN#CCCN(CCC#N)C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H16N4O/c16-6-1-9-19(10-2-7-17)15(20)13-3-4-14-12(11-13)5-8-18-14/h3-4,11,18H,1-2,5,8-10H2
InChIKeyDEMGGNFUNIBIJI-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.92
Rot. Bonds5

About N,N-bis(2-cyanoethyl)-2,3-dihydro-1H-indole-5-carboxamide

N,N-bis(2-cyanoethyl)-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 60953943) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID60953943
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN,N-bis(2-cyanoethyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESN#CCCN(CCC#N)C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H16N4O/c16-6-1-9-19(10-2-7-17)15(20)13-3-4-14-12(11-13)5-8-18-14/h3-4,11,18H,1-2,5,8-10H2
InChIKeyDEMGGNFUNIBIJI-UHFFFAOYSA-N
XLogP1.92
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142468
N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43273795
N-ethyl-N-propan-2-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43265847
N-cyclopentyl-N-(2-hydroxyethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 60953458
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 60699391
N,N-bis(2-cyanoethyl)pyridine-4-carboxamide
CID 51179878
2-[2,3-dihydro-1H-indole-5-carbonyl(propan-2-yl)amino]acetic acid
CID 61161820
2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride
CID 56766314
2-bromo-N,N-bis(2-cyanoethyl)pyridine-4-carboxamide
CID 113255617
N-[3-(dimethylamino)propyl]-N-ethyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 102992951
1-(2,3-dihydro-1H-indol-5-yl)hex-4-yn-1-one
CID 116554292

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2,3-dihydro-1H-indole-5-carboxamide (CID 60953943) is N,N-bis(2-cyanoethyl)-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2,3-dihydro-1H-indole-5-carboxamide is N#CCCN(CCC#N)C(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is DEMGGNFUNIBIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-6-1-9-19(10-2-7-17)15(20)13-3-4-14-12(11-13)5-8-18-14/h3-4,11,18H,1-2,5,8-10H2.
What are the key properties of N,N-bis(2-cyanoethyl)-2,3-dihydro-1H-indole-5-carboxamide?
N,N-bis(2-cyanoethyl)-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 60953943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).