3-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]cyclohexane-1-carboxamide

C25H28N4O — CID 58396398

IUPAC3-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCC(C)C2)cc1Cc1ncccc1-c1ccncn1
InChIInChI=1S/C25H28N4O/c1-17-5-3-6-19(13-17)25(30)29-21-9-8-18(2)20(14-21)15-24-22(7-4-11-27-24)23-10-12-26-16-28-23/h4,7-12,14,16-17,19H,3,5-6,13,15H2,1-2H3,(H,29,30)
InChIKeyLCTKBQBXEZLNOO-UHFFFAOYSA-N
MW400.53 g/mol
LogP5.20
Rot. Bonds5

About 3-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]cyclohexane-1-carboxamide

3-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]cyclohexane-1-carboxamide (PubChem CID 58396398) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 3-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]cyclohexane-1-carboxamide
PubChem CID58396398
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name3-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCC(C)C2)cc1Cc1ncccc1-c1ccncn1
InChIInChI=1S/C25H28N4O/c1-17-5-3-6-19(13-17)25(30)29-21-9-8-18(2)20(14-21)15-24-22(7-4-11-27-24)23-10-12-26-16-28-23/h4,7-12,14,16-17,19H,3,5-6,13,15H2,1-2H3,(H,29,30)
InChIKeyLCTKBQBXEZLNOO-UHFFFAOYSA-N
XLogP5.20
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

2-ethyl-5-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]pyrazole-3-carboxamide
CID 58397264
N-[(1S)-1-cyclohexylethyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide
CID 58396936
4-methyl-N-(3-propan-2-yloxyphenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide
CID 58396198
4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide
CID 58396537
4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 58396931
N-(4-chlorophenyl)-3-methylcyclohexane-1-carboxamide;propane
CID 142985904
N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 129215411
N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide;propane
CID 144736513
4-chloro-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58396685
(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 178156221
[4-[(3-methylcyclohexanecarbonyl)amino]phenyl] thiocyanate
CID 154972346
cis-(1R,3S)-3-methyl-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 97216672

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]cyclohexane-1-carboxamide (CID 58396398) is 3-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]cyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2CCCC(C)C2)cc1Cc1ncccc1-c1ccncn1.
What is the InChIKey of 3-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]cyclohexane-1-carboxamide?
The InChIKey is LCTKBQBXEZLNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-17-5-3-6-19(13-17)25(30)29-21-9-8-18(2)20(14-21)15-24-22(7-4-11-27-24)23-10-12-26-16-28-23/h4,7-12,14,16-17,19H,3,5-6,13,15H2,1-2H3,(H,29,30).
What are the key properties of 3-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]cyclohexane-1-carboxamide?
3-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]cyclohexane-1-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 58396398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).