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

C24H31FN4O2 — CID 90290813

IUPAC4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESCC(C)(CNC(=O)C(N)C1CCC(C(=O)Nc2ccncc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H31FN4O2/c1-24(2,18-7-9-19(25)10-8-18)15-28-23(31)21(26)16-3-5-17(6-4-16)22(30)29-20-11-13-27-14-12-20/h7-14,16-17,21H,3-6,15,26H2,1-2H3,(H,28,31)(H,27,29,30)
InChIKeyUHAMOGKIZUOWAQ-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.39
Rot. Bonds7

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

4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide (PubChem CID 90290813) has the molecular formula C24H31FN4O2 and a molecular weight of 426.54 g/mol. Its IUPAC name is 4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
PubChem CID90290813
Molecular FormulaC24H31FN4O2
Molecular Weight426.54 g/mol
Exact Mass426.24
IUPAC Name4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESCC(C)(CNC(=O)C(N)C1CCC(C(=O)Nc2ccncc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H31FN4O2/c1-24(2,18-7-9-19(25)10-8-18)15-28-23(31)21(26)16-3-5-17(6-4-16)22(30)29-20-11-13-27-14-12-20/h7-14,16-17,21H,3-6,15,26H2,1-2H3,(H,28,31)(H,27,29,30)
InChIKeyUHAMOGKIZUOWAQ-UHFFFAOYSA-N
XLogP3.39
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide with MolForge

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Related Compounds

4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 166932117
4-[1-amino-2-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290815
4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290812
4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-sulfanylideneethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 86763012
4-[1-amino-2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 86762901
4-[1-amino-2-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 86762957
4-[1-amino-2-[[1-(3,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290829
4-[1-amino-2-[[1-(3,4-difluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290831
4-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673501
4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide;tert-butyl N-[2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-2-oxo-1-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]carbamate
CID 161354963
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
N-(2-methyl-2-pyridin-4-ylpropyl)piperidine-4-carboxamide
CID 115160070

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide (CID 90290813) is 4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide is CC(C)(CNC(=O)C(N)C1CCC(C(=O)Nc2ccncc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
The InChIKey is UHAMOGKIZUOWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2/c1-24(2,18-7-9-19(25)10-8-18)15-28-23(31)21(26)16-3-5-17(6-4-16)22(30)29-20-11-13-27-14-12-20/h7-14,16-17,21H,3-6,15,26H2,1-2H3,(H,28,31)(H,27,29,30).
What are the key properties of 4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 3.39, 7 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]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 90290813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).