1-[3-(cyclopropylamino)-3-oxopropyl]-6-oxopyridine-2-carboxylic acid

C12H14N2O4 — CID 114040167

IUPAC1-[3-(cyclopropylamino)-3-oxopropyl]-6-oxopyridine-2-carboxylic acid
SMILESO=C(CCn1c(C(=O)O)cccc1=O)NC1CC1
InChIInChI=1S/C12H14N2O4/c15-10(13-8-4-5-8)6-7-14-9(12(17)18)2-1-3-11(14)16/h1-3,8H,4-7H2,(H,13,15)(H,17,18)
InChIKeyOBZPCKHSIVOBCI-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.22
Rot. Bonds5

About 1-[3-(cyclopropylamino)-3-oxopropyl]-6-oxopyridine-2-carboxylic acid

1-[3-(cyclopropylamino)-3-oxopropyl]-6-oxopyridine-2-carboxylic acid (PubChem CID 114040167) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)-3-oxopropyl]-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)-3-oxopropyl]-6-oxopyridine-2-carboxylic acid
PubChem CID114040167
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name1-[3-(cyclopropylamino)-3-oxopropyl]-6-oxopyridine-2-carboxylic acid
SMILESO=C(CCn1c(C(=O)O)cccc1=O)NC1CC1
InChIInChI=1S/C12H14N2O4/c15-10(13-8-4-5-8)6-7-14-9(12(17)18)2-1-3-11(14)16/h1-3,8H,4-7H2,(H,13,15)(H,17,18)
InChIKeyOBZPCKHSIVOBCI-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

1-[3-(cyclopropylamino)-3-oxopropyl]-2-oxopyridine-3-carboxylic acid
CID 55098640
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N-cyclopropyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
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N-cyclopropyl-3-(2,5-dioxopyrrolidin-1-yl)propanamide
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N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 2971184
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-ylpropanamide
CID 119388164
N-cyclopropyl-N'-phenylbutanediamide
CID 70314355
N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 32744912
1-[3-(cyclopropylamino)-3-oxopropyl]-5-oxopyrrolidine-2-carboxylic acid
CID 62874003
N,N'-dicyclopropylbutanediamide
CID 5225156
N-cyclopropyl-2-phenylacetamide
CID 5175687

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)-3-oxopropyl]-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 1-[3-(cyclopropylamino)-3-oxopropyl]-6-oxopyridine-2-carboxylic acid (CID 114040167) is 1-[3-(cyclopropylamino)-3-oxopropyl]-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(cyclopropylamino)-3-oxopropyl]-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1-[3-(cyclopropylamino)-3-oxopropyl]-6-oxopyridine-2-carboxylic acid is O=C(CCn1c(C(=O)O)cccc1=O)NC1CC1.
What is the InChIKey of 1-[3-(cyclopropylamino)-3-oxopropyl]-6-oxopyridine-2-carboxylic acid?
The InChIKey is OBZPCKHSIVOBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-10(13-8-4-5-8)6-7-14-9(12(17)18)2-1-3-11(14)16/h1-3,8H,4-7H2,(H,13,15)(H,17,18).
What are the key properties of 1-[3-(cyclopropylamino)-3-oxopropyl]-6-oxopyridine-2-carboxylic acid?
1-[3-(cyclopropylamino)-3-oxopropyl]-6-oxopyridine-2-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]-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114040167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).