N-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide

C23H28N4O — CID 155076755

IUPACN-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCC[C@@H](NCc2cccnc2)C1
InChIInChI=1S/C23H28N4O/c1-2-27(23(28)22-13-18-8-3-4-11-21(18)26-22)20-10-5-9-19(14-20)25-16-17-7-6-12-24-15-17/h3-4,6-8,11-13,15,19-20,25-26H,2,5,9-10,14,16H2,1H3/t19-,20+/m1/s1
InChIKeyWIWLIRVXILXTDY-UXHICEINSA-N
MW376.50 g/mol
LogP4.13
Rot. Bonds6

About N-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide

N-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide (PubChem CID 155076755) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide
PubChem CID155076755
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCC[C@@H](NCc2cccnc2)C1
InChIInChI=1S/C23H28N4O/c1-2-27(23(28)22-13-18-8-3-4-11-21(18)26-22)20-10-5-9-19(14-20)25-16-17-7-6-12-24-15-17/h3-4,6-8,11-13,15,19-20,25-26H,2,5,9-10,14,16H2,1H3/t19-,20+/m1/s1
InChIKeyWIWLIRVXILXTDY-UXHICEINSA-N
XLogP4.13
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135171023
N-[(1S,3R)-3-[(4-amino-3-methylphenyl)methylamino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 135171020
N-ethyl-N-[(1S,3R)-3-[[4-(methyldiazenyl)phenyl]methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 170113162
N-[(3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 155076723
N-[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 155076718
N-ethyl-N-[(1S,3R)-3-[[3-(4-ethynylbenzoyl)phenyl]methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135156924
N-[(5S)-5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide
CID 135171025
N-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 135171015
N-[(1S,3R)-3-[[3-[2-(3-but-3-ynyldiaziridin-3-yl)ethoxy]phenyl]methylamino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 155077096
tert-butyl N-[(1R,3S)-3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate
CID 135170778
N-ethyl-N-[(1S,3R)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 142389774
N-[(1S,3R)-3-(2,1,3-benzothiadiazol-5-ylmethylamino)cyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 155076769

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide?
The IUPAC name of N-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide (CID 155076755) is N-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide is CCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCC[C@@H](NCc2cccnc2)C1.
What is the InChIKey of N-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide?
The InChIKey is WIWLIRVXILXTDY-UXHICEINSA-N. The full InChI is InChI=1S/C23H28N4O/c1-2-27(23(28)22-13-18-8-3-4-11-21(18)26-22)20-10-5-9-19(14-20)25-16-17-7-6-12-24-15-17/h3-4,6-8,11-13,15,19-20,25-26H,2,5,9-10,14,16H2,1H3/t19-,20+/m1/s1.
What are the key properties of N-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide?
N-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 155076755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).