N-[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide

C23H25F3N4O — CID 155076718

IUPACN-[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
SMILESO=C(c1cc2ccccc2[nH]1)N(CC(F)(F)F)[C@H]1CCC[C@H](NCc2ccncc2)C1
InChIInChI=1S/C23H25F3N4O/c24-23(25,26)15-30(22(31)21-12-17-4-1-2-7-20(17)29-21)19-6-3-5-18(13-19)28-14-16-8-10-27-11-9-16/h1-2,4,7-12,18-19,28-29H,3,5-6,13-15H2/t18-,19-/m0/s1
InChIKeyYCLNVJWDGBZMEC-OALUTQOASA-N
MW430.47 g/mol
LogP4.67
Rot. Bonds6

About N-[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide

N-[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide (PubChem CID 155076718) has the molecular formula C23H25F3N4O and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
PubChem CID155076718
Molecular FormulaC23H25F3N4O
Molecular Weight430.47 g/mol
Exact Mass430.20
IUPAC NameN-[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
SMILESO=C(c1cc2ccccc2[nH]1)N(CC(F)(F)F)[C@H]1CCC[C@H](NCc2ccncc2)C1
InChIInChI=1S/C23H25F3N4O/c24-23(25,26)15-30(22(31)21-12-17-4-1-2-7-20(17)29-21)19-6-3-5-18(13-19)28-14-16-8-10-27-11-9-16/h1-2,4,7-12,18-19,28-29H,3,5-6,13-15H2/t18-,19-/m0/s1
InChIKeyYCLNVJWDGBZMEC-OALUTQOASA-N
XLogP4.67
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 155076723
N-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide
CID 155076755
N-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135171023
N-ethyl-N-[3-[[3-(trifluoromethoxy)phenyl]methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135170971
N-ethyl-N-[(1S,3R)-3-[[4-(methyldiazenyl)phenyl]methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 170113162
N-[(3R)-3-(benzylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide;N-[(3R)-3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 161347630
N-ethyl-N-[(1S,3R)-3-[(3-methyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135170990
N-[(1S,3R)-3-[(4-amino-3-methylphenyl)methylamino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 135171020
N-[(1S)-3-[2-(4-methoxyphenyl)propan-2-ylamino]cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 162608345
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-[(1S,3R)-3-[[4-[2-(3-but-3-ynyldiaziridin-3-yl)ethoxy]phenyl]methylamino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 155076800

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide?
The IUPAC name of N-[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide (CID 155076718) is N-[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide is O=C(c1cc2ccccc2[nH]1)N(CC(F)(F)F)[C@H]1CCC[C@H](NCc2ccncc2)C1.
What is the InChIKey of N-[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide?
The InChIKey is YCLNVJWDGBZMEC-OALUTQOASA-N. The full InChI is InChI=1S/C23H25F3N4O/c24-23(25,26)15-30(22(31)21-12-17-4-1-2-7-20(17)29-21)19-6-3-5-18(13-19)28-14-16-8-10-27-11-9-16/h1-2,4,7-12,18-19,28-29H,3,5-6,13-15H2/t18-,19-/m0/s1.
What are the key properties of N-[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide?
N-[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 155076718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).