N-[3-[[2-(3-chlorophenyl)-2-oxoethyl]carbamoyl]-1-adamantyl]-6-methylpyridine-2-carboxamide

C26H28ClN3O3 — CID 67341856

IUPACN-[3-[[2-(3-chlorophenyl)-2-oxoethyl]carbamoyl]-1-adamantyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC23CC4CC(C2)CC(C(=O)NCC(=O)c2cccc(Cl)c2)(C4)C3)n1
InChIInChI=1S/C26H28ClN3O3/c1-16-4-2-7-21(29-16)23(32)30-26-12-17-8-18(13-26)11-25(10-17,15-26)24(33)28-14-22(31)19-5-3-6-20(27)9-19/h2-7,9,17-18H,8,10-15H2,1H3,(H,28,33)(H,30,32)
InChIKeyWLKUQZAWVILLFV-UHFFFAOYSA-N
MW465.98 g/mol
LogP4.11
Rot. Bonds6

About N-[3-[[2-(3-chlorophenyl)-2-oxoethyl]carbamoyl]-1-adamantyl]-6-methylpyridine-2-carboxamide

N-[3-[[2-(3-chlorophenyl)-2-oxoethyl]carbamoyl]-1-adamantyl]-6-methylpyridine-2-carboxamide (PubChem CID 67341856) has the molecular formula C26H28ClN3O3 and a molecular weight of 465.98 g/mol. Its IUPAC name is N-[3-[[2-(3-chlorophenyl)-2-oxoethyl]carbamoyl]-1-adamantyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(3-chlorophenyl)-2-oxoethyl]carbamoyl]-1-adamantyl]-6-methylpyridine-2-carboxamide
PubChem CID67341856
Molecular FormulaC26H28ClN3O3
Molecular Weight465.98 g/mol
Exact Mass465.18
IUPAC NameN-[3-[[2-(3-chlorophenyl)-2-oxoethyl]carbamoyl]-1-adamantyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC23CC4CC(C2)CC(C(=O)NCC(=O)c2cccc(Cl)c2)(C4)C3)n1
InChIInChI=1S/C26H28ClN3O3/c1-16-4-2-7-21(29-16)23(32)30-26-12-17-8-18(13-26)11-25(10-17,15-26)24(33)28-14-22(31)19-5-3-6-20(27)9-19/h2-7,9,17-18H,8,10-15H2,1H3,(H,28,33)(H,30,32)
InChIKeyWLKUQZAWVILLFV-UHFFFAOYSA-N
XLogP4.11
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.98
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 44633442
6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide
CID 53327007
N-[3-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 58358675
N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 58358628
2,2,2-trifluoroethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate
CID 67323386
2-(2-methoxyethoxy)ethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate
CID 67323372
6-methyl-N-[3-(oxan-4-ylmethylamino)-1-adamantyl]pyridine-2-carboxamide
CID 123657933
[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl] azetidine-1-carboxylate
CID 53327442
N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 53327244
3-acetamido-N-[2-[(4-chlorobenzoyl)amino]ethyl]adamantane-1-carboxamide
CID 42944694
(5S,7R)-3-chloro-N'-(3-chlorobenzoyl)adamantane-1-carbohydrazide
CID 7742380
N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 162621415

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-chlorophenyl)-2-oxoethyl]carbamoyl]-1-adamantyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[3-[[2-(3-chlorophenyl)-2-oxoethyl]carbamoyl]-1-adamantyl]-6-methylpyridine-2-carboxamide (CID 67341856) is N-[3-[[2-(3-chlorophenyl)-2-oxoethyl]carbamoyl]-1-adamantyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(3-chlorophenyl)-2-oxoethyl]carbamoyl]-1-adamantyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[3-[[2-(3-chlorophenyl)-2-oxoethyl]carbamoyl]-1-adamantyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NC23CC4CC(C2)CC(C(=O)NCC(=O)c2cccc(Cl)c2)(C4)C3)n1.
What is the InChIKey of N-[3-[[2-(3-chlorophenyl)-2-oxoethyl]carbamoyl]-1-adamantyl]-6-methylpyridine-2-carboxamide?
The InChIKey is WLKUQZAWVILLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O3/c1-16-4-2-7-21(29-16)23(32)30-26-12-17-8-18(13-26)11-25(10-17,15-26)24(33)28-14-22(31)19-5-3-6-20(27)9-19/h2-7,9,17-18H,8,10-15H2,1H3,(H,28,33)(H,30,32).
What are the key properties of N-[3-[[2-(3-chlorophenyl)-2-oxoethyl]carbamoyl]-1-adamantyl]-6-methylpyridine-2-carboxamide?
N-[3-[[2-(3-chlorophenyl)-2-oxoethyl]carbamoyl]-1-adamantyl]-6-methylpyridine-2-carboxamide has a molecular weight of 465.98 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-chlorophenyl)-2-oxoethyl]carbamoyl]-1-adamantyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 67341856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).