N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide

C25H26N4O2 — CID 44633442

IUPACN-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC23CC4CC(CC(NC(=O)c5cccc(C#N)c5)(C4)C2)C3)n1
InChIInChI=1S/C25H26N4O2/c1-16-4-2-7-21(27-16)23(31)29-25-12-18-8-19(13-25)11-24(10-18,15-25)28-22(30)20-6-3-5-17(9-20)14-26/h2-7,9,18-19H,8,10-13,15H2,1H3,(H,28,30)(H,29,31)
InChIKeyUAHASRKBRIZGSF-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.51
Rot. Bonds4

About N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide

N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide (PubChem CID 44633442) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
PubChem CID44633442
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC23CC4CC(CC(NC(=O)c5cccc(C#N)c5)(C4)C2)C3)n1
InChIInChI=1S/C25H26N4O2/c1-16-4-2-7-21(27-16)23(31)29-25-12-18-8-19(13-25)11-24(10-18,15-25)28-22(30)20-6-3-5-17(9-20)14-26/h2-7,9,18-19H,8,10-13,15H2,1H3,(H,28,30)(H,29,31)
InChIKeyUAHASRKBRIZGSF-UHFFFAOYSA-N
XLogP3.51
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 58358628
6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide
CID 53327007
2-(2-methoxyethoxy)ethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate
CID 67323372
2,2,2-trifluoroethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate
CID 67323386
N-[3-[[2-(3-chlorophenyl)-2-oxoethyl]carbamoyl]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 67341856
[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl] azetidine-1-carboxylate
CID 53327442
N-[3-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 58358675
N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 53327244
N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-2-carboxamide
CID 58358635
N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 162621415
N-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 67323563
6-methyl-N-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-adamantyl]pyridine-2-carboxamide
CID 67341196

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide (CID 44633442) is N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NC23CC4CC(CC(NC(=O)c5cccc(C#N)c5)(C4)C2)C3)n1.
What is the InChIKey of N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide?
The InChIKey is UAHASRKBRIZGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-16-4-2-7-21(27-16)23(31)29-25-12-18-8-19(13-25)11-24(10-18,15-25)28-22(30)20-6-3-5-17(9-20)14-26/h2-7,9,18-19H,8,10-13,15H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide?
N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 44633442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).