N-(2-adamantyl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide

C18H25N3O2 — CID 166455951

IUPACN-(2-adamantyl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide
SMILESCNc1cccn(CC(=O)NC2C3CC4CC(C3)CC2C4)c1=O
InChIInChI=1S/C18H25N3O2/c1-19-15-3-2-4-21(18(15)23)10-16(22)20-17-13-6-11-5-12(8-13)9-14(17)7-11/h2-4,11-14,17,19H,5-10H2,1H3,(H,20,22)
InChIKeyPAIFQVWTNNBDMY-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.83
Rot. Bonds4

About N-(2-adamantyl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide

N-(2-adamantyl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide (PubChem CID 166455951) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(2-adamantyl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide
PubChem CID166455951
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(2-adamantyl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide
SMILESCNc1cccn(CC(=O)NC2C3CC4CC(C3)CC2C4)c1=O
InChIInChI=1S/C18H25N3O2/c1-19-15-3-2-4-21(18(15)23)10-16(22)20-17-13-6-11-5-12(8-13)9-14(17)7-11/h2-4,11-14,17,19H,5-10H2,1H3,(H,20,22)
InChIKeyPAIFQVWTNNBDMY-UHFFFAOYSA-N
XLogP1.83
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(2-adamantyl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide (CID 166455951) is N-(2-adamantyl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(2-adamantyl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide is CNc1cccn(CC(=O)NC2C3CC4CC(C3)CC2C4)c1=O.
What is the InChIKey of N-(2-adamantyl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide?
The InChIKey is PAIFQVWTNNBDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-19-15-3-2-4-21(18(15)23)10-16(22)20-17-13-6-11-5-12(8-13)9-14(17)7-11/h2-4,11-14,17,19H,5-10H2,1H3,(H,20,22).
What are the key properties of N-(2-adamantyl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide?
N-(2-adamantyl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 166455951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).