4-[(2-methyl-2-pyridin-2-yloxypropanoyl)amino]adamantane-1-carboxamide

C20H27N3O3 — CID 11646137

IUPAC4-[(2-methyl-2-pyridin-2-yloxypropanoyl)amino]adamantane-1-carboxamide
SMILESCC(C)(Oc1ccccn1)C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2
InChIInChI=1S/C20H27N3O3/c1-19(2,26-15-5-3-4-6-22-15)18(25)23-16-13-7-12-8-14(16)11-20(9-12,10-13)17(21)24/h3-6,12-14,16H,7-11H2,1-2H3,(H2,21,24)(H,23,25)
InChIKeyWYFVEBBOTMFAOS-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.04
Rot. Bonds5

About 4-[(2-methyl-2-pyridin-2-yloxypropanoyl)amino]adamantane-1-carboxamide

4-[(2-methyl-2-pyridin-2-yloxypropanoyl)amino]adamantane-1-carboxamide (PubChem CID 11646137) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-[(2-methyl-2-pyridin-2-yloxypropanoyl)amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[(2-methyl-2-pyridin-2-yloxypropanoyl)amino]adamantane-1-carboxamide
PubChem CID11646137
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name4-[(2-methyl-2-pyridin-2-yloxypropanoyl)amino]adamantane-1-carboxamide
SMILESCC(C)(Oc1ccccn1)C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2
InChIInChI=1S/C20H27N3O3/c1-19(2,26-15-5-3-4-6-22-15)18(25)23-16-13-7-12-8-14(16)11-20(9-12,10-13)17(21)24/h3-6,12-14,16H,7-11H2,1-2H3,(H2,21,24)(H,23,25)
InChIKeyWYFVEBBOTMFAOS-UHFFFAOYSA-N
XLogP2.04
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-2-pyridin-2-yloxypropanoyl)amino]adamantane-1-carboxamide?
The IUPAC name of 4-[(2-methyl-2-pyridin-2-yloxypropanoyl)amino]adamantane-1-carboxamide (CID 11646137) is 4-[(2-methyl-2-pyridin-2-yloxypropanoyl)amino]adamantane-1-carboxamide.
What is the SMILES notation for 4-[(2-methyl-2-pyridin-2-yloxypropanoyl)amino]adamantane-1-carboxamide?
The canonical SMILES for 4-[(2-methyl-2-pyridin-2-yloxypropanoyl)amino]adamantane-1-carboxamide is CC(C)(Oc1ccccn1)C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2.
What is the InChIKey of 4-[(2-methyl-2-pyridin-2-yloxypropanoyl)amino]adamantane-1-carboxamide?
The InChIKey is WYFVEBBOTMFAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-19(2,26-15-5-3-4-6-22-15)18(25)23-16-13-7-12-8-14(16)11-20(9-12,10-13)17(21)24/h3-6,12-14,16H,7-11H2,1-2H3,(H2,21,24)(H,23,25).
What are the key properties of 4-[(2-methyl-2-pyridin-2-yloxypropanoyl)amino]adamantane-1-carboxamide?
4-[(2-methyl-2-pyridin-2-yloxypropanoyl)amino]adamantane-1-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-2-pyridin-2-yloxypropanoyl)amino]adamantane-1-carboxamide is sourced from PubChem (CID 11646137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).