6-[1-(1-cyanocyclopropanecarbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide

C21H22N4O2 — CID 177172124

IUPAC6-[1-(1-cyanocyclopropanecarbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2ccc(C3=CCCN(C(=O)C4(C#N)CC4)C3)cc2[nH]1
InChIInChI=1S/C21H22N4O2/c1-24(2)19(26)18-11-15-6-5-14(10-17(15)23-18)16-4-3-9-25(12-16)20(27)21(13-22)7-8-21/h4-6,10-11,23H,3,7-9,12H2,1-2H3
InChIKeyWFAMYCVVJLKZDG-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.79
Rot. Bonds3

About 6-[1-(1-cyanocyclopropanecarbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide

6-[1-(1-cyanocyclopropanecarbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide (PubChem CID 177172124) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-[1-(1-cyanocyclopropanecarbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-[1-(1-cyanocyclopropanecarbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
PubChem CID177172124
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name6-[1-(1-cyanocyclopropanecarbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2ccc(C3=CCCN(C(=O)C4(C#N)CC4)C3)cc2[nH]1
InChIInChI=1S/C21H22N4O2/c1-24(2)19(26)18-11-15-6-5-14(10-17(15)23-18)16-4-3-9-25(12-16)20(27)21(13-22)7-8-21/h4-6,10-11,23H,3,7-9,12H2,1-2H3
InChIKeyWFAMYCVVJLKZDG-UHFFFAOYSA-N
XLogP2.79
TPSA80.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-cyanocyclopropanecarbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of 6-[1-(1-cyanocyclopropanecarbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide (CID 177172124) is 6-[1-(1-cyanocyclopropanecarbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-[1-(1-cyanocyclopropanecarbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-[1-(1-cyanocyclopropanecarbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide is CN(C)C(=O)c1cc2ccc(C3=CCCN(C(=O)C4(C#N)CC4)C3)cc2[nH]1.
What is the InChIKey of 6-[1-(1-cyanocyclopropanecarbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
The InChIKey is WFAMYCVVJLKZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24(2)19(26)18-11-15-6-5-14(10-17(15)23-18)16-4-3-9-25(12-16)20(27)21(13-22)7-8-21/h4-6,10-11,23H,3,7-9,12H2,1-2H3.
What are the key properties of 6-[1-(1-cyanocyclopropanecarbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
6-[1-(1-cyanocyclopropanecarbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-cyanocyclopropanecarbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 177172124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).