1-[3-(cyclopropylamino)-3-oxopropyl]-2-oxopyridine-3-carboxylic acid

C12H14N2O4 — CID 55098640

IUPAC1-[3-(cyclopropylamino)-3-oxopropyl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(CCn1cccc(C(=O)O)c1=O)NC1CC1
InChIInChI=1S/C12H14N2O4/c15-10(13-8-3-4-8)5-7-14-6-1-2-9(11(14)16)12(17)18/h1-2,6,8H,3-5,7H2,(H,13,15)(H,17,18)
InChIKeyDQJDJZUTPYZEHP-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.22
Rot. Bonds5

About 1-[3-(cyclopropylamino)-3-oxopropyl]-2-oxopyridine-3-carboxylic acid

1-[3-(cyclopropylamino)-3-oxopropyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 55098640) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)-3-oxopropyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)-3-oxopropyl]-2-oxopyridine-3-carboxylic acid
PubChem CID55098640
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name1-[3-(cyclopropylamino)-3-oxopropyl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(CCn1cccc(C(=O)O)c1=O)NC1CC1
InChIInChI=1S/C12H14N2O4/c15-10(13-8-3-4-8)5-7-14-6-1-2-9(11(14)16)12(17)18/h1-2,6,8H,3-5,7H2,(H,13,15)(H,17,18)
InChIKeyDQJDJZUTPYZEHP-UHFFFAOYSA-N
XLogP0.22
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(cyclopropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid
CID 112707991
1-(3-hydroxypropyl)-2-oxopyridine-3-carboxylic acid
CID 22498647
1-[3-(cyclopropylamino)-3-oxopropyl]-6-oxopyridine-2-carboxylic acid
CID 114040167
N-cyclopropyl-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 155976929
N-cyclopentyl-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108788640
2-oxo-1-(4-phenylbutyl)pyridine-3-carboxylic acid
CID 114333958
N-cyclopropyl-3-(4,5-diphenylimidazol-1-yl)propanamide
CID 110436229
1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 62874027
N-cyclopropyl-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 112731299
N-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide
CID 79394241
N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
CID 114583075
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]benzoic acid
CID 79380563

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)-3-oxopropyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[3-(cyclopropylamino)-3-oxopropyl]-2-oxopyridine-3-carboxylic acid (CID 55098640) is 1-[3-(cyclopropylamino)-3-oxopropyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(cyclopropylamino)-3-oxopropyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[3-(cyclopropylamino)-3-oxopropyl]-2-oxopyridine-3-carboxylic acid is O=C(CCn1cccc(C(=O)O)c1=O)NC1CC1.
What is the InChIKey of 1-[3-(cyclopropylamino)-3-oxopropyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is DQJDJZUTPYZEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-10(13-8-3-4-8)5-7-14-6-1-2-9(11(14)16)12(17)18/h1-2,6,8H,3-5,7H2,(H,13,15)(H,17,18).
What are the key properties of 1-[3-(cyclopropylamino)-3-oxopropyl]-2-oxopyridine-3-carboxylic acid?
1-[3-(cyclopropylamino)-3-oxopropyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)-3-oxopropyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 55098640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).