4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide

C24H33FN4O — CID 166932117

IUPAC4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESCC(C)(CNCC(N)C1CCC(C(=O)Nc2ccncc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H33FN4O/c1-24(2,19-7-9-20(25)10-8-19)16-28-15-22(26)17-3-5-18(6-4-17)23(30)29-21-11-13-27-14-12-21/h7-14,17-18,22,28H,3-6,15-16,26H2,1-2H3,(H,27,29,30)
InChIKeyQUHHHYKZIUFXFN-UHFFFAOYSA-N
MW412.55 g/mol
LogP3.86
Rot. Bonds8

About 4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide

4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide (PubChem CID 166932117) has the molecular formula C24H33FN4O and a molecular weight of 412.55 g/mol. Its IUPAC name is 4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
PubChem CID166932117
Molecular FormulaC24H33FN4O
Molecular Weight412.55 g/mol
Exact Mass412.26
IUPAC Name4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESCC(C)(CNCC(N)C1CCC(C(=O)Nc2ccncc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H33FN4O/c1-24(2,19-7-9-20(25)10-8-19)16-28-15-22(26)17-3-5-18(6-4-17)23(30)29-21-11-13-27-14-12-21/h7-14,17-18,22,28H,3-6,15-16,26H2,1-2H3,(H,27,29,30)
InChIKeyQUHHHYKZIUFXFN-UHFFFAOYSA-N
XLogP3.86
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.55
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290813
4-[1-amino-2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 86762901
4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-sulfanylideneethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 86763012
4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290812
4-[1-amino-2-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290815
N-[2-amino-2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 90290861
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
4-acetyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 170566312
4-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673501
2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]acetic acid
CID 115150952
1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea
CID 110469738
N-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide
CID 76896604

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide (CID 166932117) is 4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide is CC(C)(CNCC(N)C1CCC(C(=O)Nc2ccncc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
The InChIKey is QUHHHYKZIUFXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN4O/c1-24(2,19-7-9-20(25)10-8-19)16-28-15-22(26)17-3-5-18(6-4-17)23(30)29-21-11-13-27-14-12-21/h7-14,17-18,22,28H,3-6,15-16,26H2,1-2H3,(H,27,29,30).
What are the key properties of 4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide has a molecular weight of 412.55 g/mol, XLogP of 3.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 166932117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).