N-[2-(dimethylamino)ethyl]-2-propanoylpyridine-3-carboxamide

C13H19N3O2 — CID 143839952

IUPACN-[2-(dimethylamino)ethyl]-2-propanoylpyridine-3-carboxamide
SMILESCCC(=O)c1ncccc1C(=O)NCCN(C)C
InChIInChI=1S/C13H19N3O2/c1-4-11(17)12-10(6-5-7-14-12)13(18)15-8-9-16(2)3/h5-7H,4,8-9H2,1-3H3,(H,15,18)
InChIKeyGBBHFLWWWLAEPQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.97
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-propanoylpyridine-3-carboxamide

N-[2-(dimethylamino)ethyl]-2-propanoylpyridine-3-carboxamide (PubChem CID 143839952) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-propanoylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-propanoylpyridine-3-carboxamide
PubChem CID143839952
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[2-(dimethylamino)ethyl]-2-propanoylpyridine-3-carboxamide
SMILESCCC(=O)c1ncccc1C(=O)NCCN(C)C
InChIInChI=1S/C13H19N3O2/c1-4-11(17)12-10(6-5-7-14-12)13(18)15-8-9-16(2)3/h5-7H,4,8-9H2,1-3H3,(H,15,18)
InChIKeyGBBHFLWWWLAEPQ-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

3-acetyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 148897885
N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 84576380
N-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide
CID 110474763
2-chloro-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 55090733
N-[3-(dimethylamino)propyl]-2-hydrazinylpyridine-3-carboxamide
CID 60920879
3-[[3-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]naphthalene-2-carboxylic acid
CID 54612865
N-[1-(dimethylamino)propan-2-yl]-3-propanoylpyridine-2-carboxamide
CID 143839961
2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid
CID 114199769
2-[2-(dimethylamino)ethyl-propylcarbamoyl]pyridine-3-carboxylic acid
CID 63614113
3-N-(2-hydroxyethyl)pyridine-2,3-dicarboxamide
CID 86150893
3-amino-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 104740794
3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 107517764

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-propanoylpyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-propanoylpyridine-3-carboxamide (CID 143839952) is N-[2-(dimethylamino)ethyl]-2-propanoylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-propanoylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-propanoylpyridine-3-carboxamide is CCC(=O)c1ncccc1C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-propanoylpyridine-3-carboxamide?
The InChIKey is GBBHFLWWWLAEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-11(17)12-10(6-5-7-14-12)13(18)15-8-9-16(2)3/h5-7H,4,8-9H2,1-3H3,(H,15,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-propanoylpyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-2-propanoylpyridine-3-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 N-[2-(dimethylamino)ethyl]-2-propanoylpyridine-3-carboxamide is sourced from PubChem (CID 143839952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).