6-methyl-N-[3-(oxan-4-ylmethylamino)-1-adamantyl]pyridine-2-carboxamide

C23H33N3O2 — CID 123657933

IUPAC6-methyl-N-[3-(oxan-4-ylmethylamino)-1-adamantyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC23CC4CC(CC(NCC5CCOCC5)(C4)C2)C3)n1
InChIInChI=1S/C23H33N3O2/c1-16-3-2-4-20(25-16)21(27)26-23-12-18-9-19(13-23)11-22(10-18,15-23)24-14-17-5-7-28-8-6-17/h2-4,17-19,24H,5-15H2,1H3,(H,26,27)
InChIKeyWOLZOWOSFVPAGC-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.23
Rot. Bonds5

About 6-methyl-N-[3-(oxan-4-ylmethylamino)-1-adamantyl]pyridine-2-carboxamide

6-methyl-N-[3-(oxan-4-ylmethylamino)-1-adamantyl]pyridine-2-carboxamide (PubChem CID 123657933) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 6-methyl-N-[3-(oxan-4-ylmethylamino)-1-adamantyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-(oxan-4-ylmethylamino)-1-adamantyl]pyridine-2-carboxamide
PubChem CID123657933
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name6-methyl-N-[3-(oxan-4-ylmethylamino)-1-adamantyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC23CC4CC(CC(NCC5CCOCC5)(C4)C2)C3)n1
InChIInChI=1S/C23H33N3O2/c1-16-3-2-4-20(25-16)21(27)26-23-12-18-9-19(13-23)11-22(10-18,15-23)24-14-17-5-7-28-8-6-17/h2-4,17-19,24H,5-15H2,1H3,(H,26,27)
InChIKeyWOLZOWOSFVPAGC-UHFFFAOYSA-N
XLogP3.23
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethoxy)ethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate
CID 67323372
6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide
CID 53327007
2,2,2-trifluoroethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate
CID 67323386
N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 58358628
N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 44633442
N-[3-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 58358675
[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl] azetidine-1-carboxylate
CID 53327442
N-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 67323563
N-[3-[[2-(3-chlorophenyl)-2-oxoethyl]carbamoyl]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 67341856
N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 162621415
6-methyl-N-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-adamantyl]pyridine-2-carboxamide
CID 67341196
N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 53327244

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(oxan-4-ylmethylamino)-1-adamantyl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[3-(oxan-4-ylmethylamino)-1-adamantyl]pyridine-2-carboxamide (CID 123657933) is 6-methyl-N-[3-(oxan-4-ylmethylamino)-1-adamantyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-(oxan-4-ylmethylamino)-1-adamantyl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[3-(oxan-4-ylmethylamino)-1-adamantyl]pyridine-2-carboxamide is Cc1cccc(C(=O)NC23CC4CC(CC(NCC5CCOCC5)(C4)C2)C3)n1.
What is the InChIKey of 6-methyl-N-[3-(oxan-4-ylmethylamino)-1-adamantyl]pyridine-2-carboxamide?
The InChIKey is WOLZOWOSFVPAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-16-3-2-4-20(25-16)21(27)26-23-12-18-9-19(13-23)11-22(10-18,15-23)24-14-17-5-7-28-8-6-17/h2-4,17-19,24H,5-15H2,1H3,(H,26,27).
What are the key properties of 6-methyl-N-[3-(oxan-4-ylmethylamino)-1-adamantyl]pyridine-2-carboxamide?
6-methyl-N-[3-(oxan-4-ylmethylamino)-1-adamantyl]pyridine-2-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(oxan-4-ylmethylamino)-1-adamantyl]pyridine-2-carboxamide is sourced from PubChem (CID 123657933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).