4-[[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]amino]-4-oxobutanoic acid

C16H24N4O4 — CID 39178028

IUPAC4-[[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]amino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(NCCCN2CCOCC2)nc1
InChIInChI=1S/C16H24N4O4/c21-15(4-5-16(22)23)19-13-2-3-14(18-12-13)17-6-1-7-20-8-10-24-11-9-20/h2-3,12H,1,4-11H2,(H,17,18)(H,19,21)(H,22,23)
InChIKeyTXZDBKMLNKSYDG-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.02
Rot. Bonds9

About 4-[[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]amino]-4-oxobutanoic acid

4-[[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]amino]-4-oxobutanoic acid (PubChem CID 39178028) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]amino]-4-oxobutanoic acid
PubChem CID39178028
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name4-[[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]amino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(NCCCN2CCOCC2)nc1
InChIInChI=1S/C16H24N4O4/c21-15(4-5-16(22)23)19-13-2-3-14(18-12-13)17-6-1-7-20-8-10-24-11-9-20/h2-3,12H,1,4-11H2,(H,17,18)(H,19,21)(H,22,23)
InChIKeyTXZDBKMLNKSYDG-UHFFFAOYSA-N
XLogP1.02
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113010856
methyl N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]carbamate
CID 113010883
N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]acenaphthylene-1-carboxamide
CID 91346773
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266
2-(2-methylphenyl)-N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]acetamide
CID 113010878
N-(3-morpholin-4-ylpropyl)-5-phenylpyridin-2-amine
CID 141285664
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113010875
6-(3-morpholin-4-ylpropylamino)pyridine-3-carbothioamide
CID 43348273
N-(4-acetamidophenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109154071
2-(4-methylphenyl)-N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]acetamide
CID 113025663
N-(4-aminophenyl)-4-morpholin-4-ylbutanamide
CID 16779642
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]butane-1-sulfonamide
CID 113010893

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]amino]-4-oxobutanoic acid (CID 39178028) is 4-[[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]amino]-4-oxobutanoic acid is O=C(O)CCC(=O)Nc1ccc(NCCCN2CCOCC2)nc1.
What is the InChIKey of 4-[[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]amino]-4-oxobutanoic acid?
The InChIKey is TXZDBKMLNKSYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c21-15(4-5-16(22)23)19-13-2-3-14(18-12-13)17-6-1-7-20-8-10-24-11-9-20/h2-3,12H,1,4-11H2,(H,17,18)(H,19,21)(H,22,23).
What are the key properties of 4-[[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]amino]-4-oxobutanoic acid?
4-[[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]amino]-4-oxobutanoic acid has a molecular weight of 336.39 g/mol, XLogP of 1.02, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 39178028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).