3-acetyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide

C13H19N3O2 — CID 148897885

IUPAC3-acetyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide
SMILESCCN(C)CCNC(=O)c1ncccc1C(C)=O
InChIInChI=1S/C13H19N3O2/c1-4-16(3)9-8-15-13(18)12-11(10(2)17)6-5-7-14-12/h5-7H,4,8-9H2,1-3H3,(H,15,18)
InChIKeyPGFIWSPIWQFVKD-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.97
Rot. Bonds6

About 3-acetyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide

3-acetyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide (PubChem CID 148897885) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-acetyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide
PubChem CID148897885
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-acetyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide
SMILESCCN(C)CCNC(=O)c1ncccc1C(C)=O
InChIInChI=1S/C13H19N3O2/c1-4-16(3)9-8-15-13(18)12-11(10(2)17)6-5-7-14-12/h5-7H,4,8-9H2,1-3H3,(H,15,18)
InChIKeyPGFIWSPIWQFVKD-UHFFFAOYSA-N
XLogP0.97
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 55090733
N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxybenzamide
CID 62634614
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 62636522
N-[2-(dimethylamino)ethyl]-2-propanoylpyridine-3-carboxamide
CID 143839952
2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid
CID 63616068
3-amino-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 104740794
3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 107517764
methyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate
CID 55098006
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
N-[2-[methyl-[2-(pyridine-2-carbonylamino)ethyl]amino]ethyl]pyridine-2-carboxamide
CID 15495474
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 104641145
2-amino-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 113331749

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-acetyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide (CID 148897885) is 3-acetyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-acetyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-acetyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide is CCN(C)CCNC(=O)c1ncccc1C(C)=O.
What is the InChIKey of 3-acetyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide?
The InChIKey is PGFIWSPIWQFVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-16(3)9-8-15-13(18)12-11(10(2)17)6-5-7-14-12/h5-7H,4,8-9H2,1-3H3,(H,15,18).
What are the key properties of 3-acetyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide?
3-acetyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 148897885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).