4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid

C11H13N3O4 — CID 112700659

IUPAC4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCNC(=O)CCNC(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C11H13N3O4/c1-12-9(15)3-5-14-10(16)7-2-4-13-8(6-7)11(17)18/h2,4,6H,3,5H2,1H3,(H,12,15)(H,14,16)(H,17,18)
InChIKeyJDPFIRSXCRNPGD-UHFFFAOYSA-N
MW251.24 g/mol
LogP-0.35
Rot. Bonds5

About 4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid

4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 112700659) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID112700659
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCNC(=O)CCNC(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C11H13N3O4/c1-12-9(15)3-5-14-10(16)7-2-4-13-8(6-7)11(17)18/h2,4,6H,3,5H2,1H3,(H,12,15)(H,14,16)(H,17,18)
InChIKeyJDPFIRSXCRNPGD-UHFFFAOYSA-N
XLogP-0.35
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 62175030
4-(7-methyloctylcarbamoyl)pyridine-2-carboxylic acid
CID 107817694
4-(3-methylsulfinylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 115730367
4-(2-tert-butylsulfinylethylcarbamoyl)pyridine-2-carboxylic acid
CID 119185141
4-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 113385015
4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]pyridine-2-carboxylic acid
CID 106041493
4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113352919
4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113385006
4-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 103790295
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 78949941
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid (CID 112700659) is 4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid is CNC(=O)CCNC(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is JDPFIRSXCRNPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-12-9(15)3-5-14-10(16)7-2-4-13-8(6-7)11(17)18/h2,4,6H,3,5H2,1H3,(H,12,15)(H,14,16)(H,17,18).
What are the key properties of 4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid?
4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 112700659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).