2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid

C18H20N4O4 — CID 169213851

IUPAC2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)[C@H]2CCCN(c3cccnc3)C2)ccc1=O
InChIInChI=1S/C18H20N4O4/c23-16-6-5-14(11-22(16)12-17(24)25)20-18(26)13-3-2-8-21(10-13)15-4-1-7-19-9-15/h1,4-7,9,11,13H,2-3,8,10,12H2,(H,20,26)(H,24,25)/t13-/m0/s1
InChIKeySUENBQOXSRVPBD-ZDUSSCGKSA-N
MW356.38 g/mol
LogP1.18
Rot. Bonds5

About 2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid

2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid (PubChem CID 169213851) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid
PubChem CID169213851
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)[C@H]2CCCN(c3cccnc3)C2)ccc1=O
InChIInChI=1S/C18H20N4O4/c23-16-6-5-14(11-22(16)12-17(24)25)20-18(26)13-3-2-8-21(10-13)15-4-1-7-19-9-15/h1,4-7,9,11,13H,2-3,8,10,12H2,(H,20,26)(H,24,25)/t13-/m0/s1
InChIKeySUENBQOXSRVPBD-ZDUSSCGKSA-N
XLogP1.18
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[5-[[1-(5-nitro-3-pyridinyl)piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetic acid
CID 169214084
2-[4-cyclopropyl-2-oxo-5-[[(3R)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid
CID 169214216
methyl 2-[2-oxo-5-[[(3S)-1-(5-propan-2-yl-3-pyridinyl)piperidine-3-carbonyl]amino]-1-pyridinyl]acetate
CID 169214528
2-[5-[[(3S)-1-[5-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetic acid
CID 170164598
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569
ethyl 2-[5-[[(3S)-1-(5-nitro-3-pyridinyl)piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate
CID 169214974
ethyl 2-[5-[[(3S)-1-[5-(6-aminohexyl)-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate
CID 169214693
ethyl 2-[5-[[(3S)-1-[5-[2-(cyclohexylmethylamino)ethyl]-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate
CID 169214931
2-[2-oxo-5-[(5R)-3-oxo-9-pyridin-3-yl-2,9-diazaspiro[4.5]decan-2-yl]-1-pyridinyl]acetic acid
CID 176809221
1-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 51063831
(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37070977
N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 47024919

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid?
The IUPAC name of 2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid (CID 169213851) is 2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid is O=C(O)Cn1cc(NC(=O)[C@H]2CCCN(c3cccnc3)C2)ccc1=O.
What is the InChIKey of 2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid?
The InChIKey is SUENBQOXSRVPBD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4O4/c23-16-6-5-14(11-22(16)12-17(24)25)20-18(26)13-3-2-8-21(10-13)15-4-1-7-19-9-15/h1,4-7,9,11,13H,2-3,8,10,12H2,(H,20,26)(H,24,25)/t13-/m0/s1.
What are the key properties of 2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid?
2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid has a molecular weight of 356.38 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid is sourced from PubChem (CID 169213851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).