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

C22H27FN4O2 — CID 86762901

IUPAC4-[1-amino-2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESNC(CNC(=O)Cc1ccc(F)cc1)C1CCC(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C22H27FN4O2/c23-18-7-1-15(2-8-18)13-21(28)26-14-20(24)16-3-5-17(6-4-16)22(29)27-19-9-11-25-12-10-19/h1-2,7-12,16-17,20H,3-6,13-14,24H2,(H,26,28)(H,25,27,29)
InChIKeyFTJLXXWVJVSEFT-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.65
Rot. Bonds7

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

4-[1-amino-2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide (PubChem CID 86762901) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-[1-amino-2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[1-amino-2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
PubChem CID86762901
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name4-[1-amino-2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESNC(CNC(=O)Cc1ccc(F)cc1)C1CCC(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C22H27FN4O2/c23-18-7-1-15(2-8-18)13-21(28)26-14-20(24)16-3-5-17(6-4-16)22(29)27-19-9-11-25-12-10-19/h1-2,7-12,16-17,20H,3-6,13-14,24H2,(H,26,28)(H,25,27,29)
InChIKeyFTJLXXWVJVSEFT-UHFFFAOYSA-N
XLogP2.65
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290813
N-[2-amino-2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 90290861
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
1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148415
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536954
4-acetyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 170566312
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide
CID 108538634
4-[1-amino-2-[[1-(3,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290829

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-[1-amino-2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide (CID 86762901) is 4-[1-amino-2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[1-amino-2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[1-amino-2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide is NC(CNC(=O)Cc1ccc(F)cc1)C1CCC(C(=O)Nc2ccncc2)CC1.
What is the InChIKey of 4-[1-amino-2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
The InChIKey is FTJLXXWVJVSEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c23-18-7-1-15(2-8-18)13-21(28)26-14-20(24)16-3-5-17(6-4-16)22(29)27-19-9-11-25-12-10-19/h1-2,7-12,16-17,20H,3-6,13-14,24H2,(H,26,28)(H,25,27,29).
What are the key properties of 4-[1-amino-2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
4-[1-amino-2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 2.65, 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)acetyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 86762901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).