N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide

C18H23N3O3 — CID 18109613

IUPACN-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESO=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ncccc1O
InChIInChI=1S/C18H23N3O3/c22-14-2-1-3-19-16(14)21-15(23)10-20-17(24)18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13,22H,4-10H2,(H,20,24)(H,19,21,23)
InChIKeyRQQYLDRDENZCLQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.06
Rot. Bonds4

About N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 18109613) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID18109613
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESO=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ncccc1O
InChIInChI=1S/C18H23N3O3/c22-14-2-1-3-19-16(14)21-15(23)10-20-17(24)18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13,22H,4-10H2,(H,20,24)(H,19,21,23)
InChIKeyRQQYLDRDENZCLQ-UHFFFAOYSA-N
XLogP2.06
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide (CID 18109613) is N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide is O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ncccc1O.
What is the InChIKey of N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is RQQYLDRDENZCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-14-2-1-3-19-16(14)21-15(23)10-20-17(24)18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13,22H,4-10H2,(H,20,24)(H,19,21,23).
What are the key properties of N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 18109613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).