6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid

C12H17N3O3 — CID 62634866

IUPAC6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESCCN(C)CCNC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H17N3O3/c1-3-15(2)7-6-13-11(16)10-5-4-9(8-14-10)12(17)18/h4-5,8H,3,6-7H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyZLDNUDBJBIMDBK-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.46
Rot. Bonds6

About 6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid

6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 62634866) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID62634866
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESCCN(C)CCNC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H17N3O3/c1-3-15(2)7-6-13-11(16)10-5-4-9(8-14-10)12(17)18/h4-5,8H,3,6-7H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyZLDNUDBJBIMDBK-UHFFFAOYSA-N
XLogP0.46
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 63749570
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 104641145
6-(3-methylsulfanylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 63959923
6-(diethylcarbamoyl)pyridine-3-carboxylic acid
CID 43427227
3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054
6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114516523
6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 80688805
6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid
CID 14210559
6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43427330
6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 64695374
4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid
CID 55097595
5-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 115588687

Frequently Asked Questions

What is the IUPAC name of 6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid (CID 62634866) is 6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid is CCN(C)CCNC(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is ZLDNUDBJBIMDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-15(2)7-6-13-11(16)10-5-4-9(8-14-10)12(17)18/h4-5,8H,3,6-7H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid?
6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 62634866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).