2-[5-[14-aminotetradecyl(formyl)amino]-2-oxo-1-pyridinyl]acetic acid

C22H37N3O4 — CID 169213961

IUPAC2-[5-[14-aminotetradecyl(formyl)amino]-2-oxo-1-pyridinyl]acetic acid
SMILESNCCCCCCCCCCCCCCN(C=O)c1ccc(=O)n(CC(=O)O)c1
InChIInChI=1S/C22H37N3O4/c23-15-11-9-7-5-3-1-2-4-6-8-10-12-16-24(19-26)20-13-14-21(27)25(17-20)18-22(28)29/h13-14,17,19H,1-12,15-16,18,23H2,(H,28,29)
InChIKeyXXDGWHZBIYCUMW-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.54
Rot. Bonds18

About 2-[5-[14-aminotetradecyl(formyl)amino]-2-oxo-1-pyridinyl]acetic acid

2-[5-[14-aminotetradecyl(formyl)amino]-2-oxo-1-pyridinyl]acetic acid (PubChem CID 169213961) has the molecular formula C22H37N3O4 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-[5-[14-aminotetradecyl(formyl)amino]-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[14-aminotetradecyl(formyl)amino]-2-oxo-1-pyridinyl]acetic acid
PubChem CID169213961
Molecular FormulaC22H37N3O4
Molecular Weight407.56 g/mol
Exact Mass407.28
IUPAC Name2-[5-[14-aminotetradecyl(formyl)amino]-2-oxo-1-pyridinyl]acetic acid
SMILESNCCCCCCCCCCCCCCN(C=O)c1ccc(=O)n(CC(=O)O)c1
InChIInChI=1S/C22H37N3O4/c23-15-11-9-7-5-3-1-2-4-6-8-10-12-16-24(19-26)20-13-14-21(27)25(17-20)18-22(28)29/h13-14,17,19H,1-12,15-16,18,23H2,(H,28,29)
InChIKeyXXDGWHZBIYCUMW-UHFFFAOYSA-N
XLogP3.54
TPSA105.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[5-[8-aminooctyl(formyl)amino]-2-oxo-1-pyridinyl]acetate
CID 176559725
methyl 2-[5-[formyl(8-hydroxyoctyl)amino]-2-oxo-1-pyridinyl]acetate
CID 176932525
methyl 2-[5-[8-aminooctyl(formyl)amino]-2-oxo-1-pyridinyl]acetate;4-piperidin-1-ylisoquinoline
CID 176559724
[4-[formyl-[14-(N-formyl-4-phosphonoanilino)tetradecyl]amino]phenyl]phosphonic acid
CID 22908863
6-(N-formyl-3,4-dimethylanilino)hexanoic acid
CID 20848198
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 702585
ethyl 2-[5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxo-1-pyridinyl]acetate
CID 176558386
1-(4-aminobutyl)-5-methylpyridin-2-one
CID 82032115
N-(2-aminoethyl)-N-(4-methylphenyl)formamide
CID 82503582
4-[[1-benzyl-5-(methylcarbamoyl)-6-oxo-3-pyridinyl]-formylamino]butanoic acid
CID 174906842
2-(5-amino-2-oxo-1-pyridinyl)-N-ethyl-N-phenylacetamide
CID 62816852
2-[4-(carboxymethyl)-2,3-dioxopyrazin-1-yl]acetic acid
CID 95916407

Frequently Asked Questions

What is the IUPAC name of 2-[5-[14-aminotetradecyl(formyl)amino]-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[14-aminotetradecyl(formyl)amino]-2-oxo-1-pyridinyl]acetic acid (CID 169213961) is 2-[5-[14-aminotetradecyl(formyl)amino]-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[14-aminotetradecyl(formyl)amino]-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[14-aminotetradecyl(formyl)amino]-2-oxo-1-pyridinyl]acetic acid is NCCCCCCCCCCCCCCN(C=O)c1ccc(=O)n(CC(=O)O)c1.
What is the InChIKey of 2-[5-[14-aminotetradecyl(formyl)amino]-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is XXDGWHZBIYCUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O4/c23-15-11-9-7-5-3-1-2-4-6-8-10-12-16-24(19-26)20-13-14-21(27)25(17-20)18-22(28)29/h13-14,17,19H,1-12,15-16,18,23H2,(H,28,29).
What are the key properties of 2-[5-[14-aminotetradecyl(formyl)amino]-2-oxo-1-pyridinyl]acetic acid?
2-[5-[14-aminotetradecyl(formyl)amino]-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 407.56 g/mol, XLogP of 3.54, 18 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[14-aminotetradecyl(formyl)amino]-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 169213961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).