adamantan-1-amine;1-(1-adamantyl)-4-oxo-6-phenylpyridine-3-carboxylic acid

C32H40N2O3 — CID 70567947

IUPACadamantan-1-amine;1-(1-adamantyl)-4-oxo-6-phenylpyridine-3-carboxylic acid
SMILESNC12CC3CC(CC(C3)C1)C2.O=C(O)c1cn(C23CC4CC(CC(C4)C2)C3)c(-c2ccccc2)cc1=O
InChIInChI=1S/C22H23NO3.C10H17N/c24-20-9-19(17-4-2-1-3-5-17)23(13-18(20)21(25)26)22-10-14-6-15(11-22)8-16(7-14)12-22;11-10-4-7-1-8(5-10)3-9(2-7)6-10/h1-5,9,13-16H,6-8,10-12H2,(H,25,26);7-9H,1-6,11H2
InChIKeyAOGWQWCDZBARBT-UHFFFAOYSA-N
MW500.68 g/mol
LogP6.05
Rot. Bonds3

About adamantan-1-amine;1-(1-adamantyl)-4-oxo-6-phenylpyridine-3-carboxylic acid

adamantan-1-amine;1-(1-adamantyl)-4-oxo-6-phenylpyridine-3-carboxylic acid (PubChem CID 70567947) has the molecular formula C32H40N2O3 and a molecular weight of 500.68 g/mol. Its IUPAC name is adamantan-1-amine;1-(1-adamantyl)-4-oxo-6-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Nameadamantan-1-amine;1-(1-adamantyl)-4-oxo-6-phenylpyridine-3-carboxylic acid
PubChem CID70567947
Molecular FormulaC32H40N2O3
Molecular Weight500.68 g/mol
Exact Mass500.30
IUPAC Nameadamantan-1-amine;1-(1-adamantyl)-4-oxo-6-phenylpyridine-3-carboxylic acid
SMILESNC12CC3CC(CC(C3)C1)C2.O=C(O)c1cn(C23CC4CC(CC(C4)C2)C3)c(-c2ccccc2)cc1=O
InChIInChI=1S/C22H23NO3.C10H17N/c24-20-9-19(17-4-2-1-3-5-17)23(13-18(20)21(25)26)22-10-14-6-15(11-22)8-16(7-14)12-22;11-10-4-7-1-8(5-10)3-9(2-7)6-10/h1-5,9,13-16H,6-8,10-12H2,(H,25,26);7-9H,1-6,11H2
InChIKeyAOGWQWCDZBARBT-UHFFFAOYSA-N
XLogP6.05
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.68
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze adamantan-1-amine;1-(1-adamantyl)-4-oxo-6-phenylpyridine-3-carboxylic acid with MolForge

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Related Compounds

n3-(1-Adamantyl)-1-butyl-4-oxo-6-phenyl-1,4-dihydropyridine-3-carboxamide
CID 49819855
n3-(1-Adamantyl)-4-oxo-1-pentyl-6-phenyl-1,4-dihydropyridine-3-carboxamide
CID 49820009
n3-(1-Adamantyl)-1-hexyl-4-oxo-6-phenyl-1,4-dihydropyridine-3-carboxamide
CID 49820010
1-(1-Adamantyl)-4-oxo-6-phenylpyridine-3-carboxylic acid
CID 20262618
1-Cyclohexyl-4-oxo-6-phenylpyridine-3-carboxylic acid
CID 20262650
Cyclopropylmethanamine;1-(cyclopropylmethyl)-4-oxo-6-phenylpyridine-3-carboxylic acid
CID 70566584
4-Oxo-6-phenyl-1-propan-2-ylpyridine-3-carboxylic acid;propan-2-amine
CID 70567354
Cyclohexanamine;1-cyclohexyl-4-oxo-6-phenylpyridine-3-carboxylic acid
CID 70567624
Octan-1-amine;1-octyl-4-oxo-6-phenylpyridine-3-carboxylic acid
CID 157958135
1-Tert-butyl-4-oxo-6-phenylpyridine-3-carboxylic acid;2-methylpropan-2-amine
CID 161217087

Frequently Asked Questions

What is the IUPAC name of adamantan-1-amine;1-(1-adamantyl)-4-oxo-6-phenylpyridine-3-carboxylic acid?
The IUPAC name of adamantan-1-amine;1-(1-adamantyl)-4-oxo-6-phenylpyridine-3-carboxylic acid (CID 70567947) is adamantan-1-amine;1-(1-adamantyl)-4-oxo-6-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for adamantan-1-amine;1-(1-adamantyl)-4-oxo-6-phenylpyridine-3-carboxylic acid?
The canonical SMILES for adamantan-1-amine;1-(1-adamantyl)-4-oxo-6-phenylpyridine-3-carboxylic acid is NC12CC3CC(CC(C3)C1)C2.O=C(O)c1cn(C23CC4CC(CC(C4)C2)C3)c(-c2ccccc2)cc1=O.
What is the InChIKey of adamantan-1-amine;1-(1-adamantyl)-4-oxo-6-phenylpyridine-3-carboxylic acid?
The InChIKey is AOGWQWCDZBARBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3.C10H17N/c24-20-9-19(17-4-2-1-3-5-17)23(13-18(20)21(25)26)22-10-14-6-15(11-22)8-16(7-14)12-22;11-10-4-7-1-8(5-10)3-9(2-7)6-10/h1-5,9,13-16H,6-8,10-12H2,(H,25,26);7-9H,1-6,11H2.
What are the key properties of adamantan-1-amine;1-(1-adamantyl)-4-oxo-6-phenylpyridine-3-carboxylic acid?
adamantan-1-amine;1-(1-adamantyl)-4-oxo-6-phenylpyridine-3-carboxylic acid has a molecular weight of 500.68 g/mol, XLogP of 6.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for adamantan-1-amine;1-(1-adamantyl)-4-oxo-6-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 70567947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).