4-[[6-(1-adamantylamino)-3-pyridinyl]amino]-4-oxobutanoic acid

C19H25N3O3 — CID 39178183

IUPAC4-[[6-(1-adamantylamino)-3-pyridinyl]amino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(NC23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C19H25N3O3/c23-17(3-4-18(24)25)21-15-1-2-16(20-11-15)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-2,11-14H,3-10H2,(H,20,22)(H,21,23)(H,24,25)
InChIKeyAQMWVDPEODGMAK-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.27
Rot. Bonds6

About 4-[[6-(1-adamantylamino)-3-pyridinyl]amino]-4-oxobutanoic acid

4-[[6-(1-adamantylamino)-3-pyridinyl]amino]-4-oxobutanoic acid (PubChem CID 39178183) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[[6-(1-adamantylamino)-3-pyridinyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[6-(1-adamantylamino)-3-pyridinyl]amino]-4-oxobutanoic acid
PubChem CID39178183
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-[[6-(1-adamantylamino)-3-pyridinyl]amino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(NC23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C19H25N3O3/c23-17(3-4-18(24)25)21-15-1-2-16(20-11-15)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-2,11-14H,3-10H2,(H,20,22)(H,21,23)(H,24,25)
InChIKeyAQMWVDPEODGMAK-UHFFFAOYSA-N
XLogP3.27
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-(cyclohexylamino)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187428
4-[[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39178208
4-oxo-4-[[6-(pentylamino)-3-pyridinyl]amino]butanoic acid
CID 39178036
N-[5-(1-adamantylcarbamoylamino)-2-pyridinyl]acetamide
CID 25225453
4-[[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 82034786
3-(1-adamantylcarbamoylamino)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009311
4-[[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39178028
N-[6-(pentanoylamino)-3-pyridinyl]pentanamide
CID 649725
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266
3-(1-adamantylcarbamoylamino)-N-(4-fluorophenyl)propanamide
CID 26915513
4-[[5-[3-(dimethylamino)propylamino]-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187475
4-[[5-(3-methoxypropylamino)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187377

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(1-adamantylamino)-3-pyridinyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[6-(1-adamantylamino)-3-pyridinyl]amino]-4-oxobutanoic acid (CID 39178183) is 4-[[6-(1-adamantylamino)-3-pyridinyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[6-(1-adamantylamino)-3-pyridinyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[6-(1-adamantylamino)-3-pyridinyl]amino]-4-oxobutanoic acid is O=C(O)CCC(=O)Nc1ccc(NC23CC4CC(CC(C4)C2)C3)nc1.
What is the InChIKey of 4-[[6-(1-adamantylamino)-3-pyridinyl]amino]-4-oxobutanoic acid?
The InChIKey is AQMWVDPEODGMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-17(3-4-18(24)25)21-15-1-2-16(20-11-15)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-2,11-14H,3-10H2,(H,20,22)(H,21,23)(H,24,25).
What are the key properties of 4-[[6-(1-adamantylamino)-3-pyridinyl]amino]-4-oxobutanoic acid?
4-[[6-(1-adamantylamino)-3-pyridinyl]amino]-4-oxobutanoic acid has a molecular weight of 343.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(1-adamantylamino)-3-pyridinyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 39178183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).