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

C14H19N3O4 — CID 63616068

IUPAC2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid
SMILESCCN(CC)C(=O)CCNC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C14H19N3O4/c1-3-17(4-2)11(18)7-9-16-13(19)12-10(14(20)21)6-5-8-15-12/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyKGNYEEVVQYAPFB-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.77
Rot. Bonds7

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

2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid (PubChem CID 63616068) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid
PubChem CID63616068
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid
SMILESCCN(CC)C(=O)CCNC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C14H19N3O4/c1-3-17(4-2)11(18)7-9-16-13(19)12-10(14(20)21)6-5-8-15-12/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyKGNYEEVVQYAPFB-UHFFFAOYSA-N
XLogP0.77
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63615728
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
2-(ethoxycarbamoyl)pyridine-3-carboxylic acid
CID 64974014
2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid
CID 57302140
2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid
CID 63614574
2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 104759073
N,N-diethyl-3-[(3-fluoro-2-pyridinyl)amino]propanamide
CID 62734354
2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106334730
2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 106328232
3-acetyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 148897885
5-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 115588687
2-[2-(dimethylamino)ethyl-propylcarbamoyl]pyridine-3-carboxylic acid
CID 63614113

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid (CID 63616068) is 2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid is CCN(CC)C(=O)CCNC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is KGNYEEVVQYAPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-17(4-2)11(18)7-9-16-13(19)12-10(14(20)21)6-5-8-15-12/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid?
2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63616068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).