3-N,4-N-diethylpyridine-3,4-dicarboxamide

C11H15N3O2 — CID 14527703

IUPAC3-N,4-N-diethylpyridine-3,4-dicarboxamide
SMILESCCNC(=O)c1ccncc1C(=O)NCC
InChIInChI=1S/C11H15N3O2/c1-3-13-10(15)8-5-6-12-7-9(8)11(16)14-4-2/h5-7H,3-4H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyIMVVRBNLCUUWKO-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.58
Rot. Bonds4

About 3-N,4-N-diethylpyridine-3,4-dicarboxamide

3-N,4-N-diethylpyridine-3,4-dicarboxamide (PubChem CID 14527703) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-N,4-N-diethylpyridine-3,4-dicarboxamide.

Molecular Properties

Compound Name3-N,4-N-diethylpyridine-3,4-dicarboxamide
PubChem CID14527703
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-N,4-N-diethylpyridine-3,4-dicarboxamide
SMILESCCNC(=O)c1ccncc1C(=O)NCC
InChIInChI=1S/C11H15N3O2/c1-3-13-10(15)8-5-6-12-7-9(8)11(16)14-4-2/h5-7H,3-4H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyIMVVRBNLCUUWKO-UHFFFAOYSA-N
XLogP0.58
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105068179
N-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 142421392
N-[2-(ethylamino)-2-oxoethyl]-3-hydrazinylpyridine-4-carboxamide
CID 105072034
methyl 3-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-4-carboxylate
CID 70432942
N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81242453
4-(methylcarbamoyl)pyridine-3-carboxylic acid
CID 130493888
N-ethylisoquinoline-6-carboxamide
CID 110485080
4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid
CID 114244376
N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 103464518
4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114244377
3-ethyl-N-methylpyridine-4-carboxamide
CID 130718112
N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81243085

Frequently Asked Questions

What is the IUPAC name of 3-N,4-N-diethylpyridine-3,4-dicarboxamide?
The IUPAC name of 3-N,4-N-diethylpyridine-3,4-dicarboxamide (CID 14527703) is 3-N,4-N-diethylpyridine-3,4-dicarboxamide.
What is the SMILES notation for 3-N,4-N-diethylpyridine-3,4-dicarboxamide?
The canonical SMILES for 3-N,4-N-diethylpyridine-3,4-dicarboxamide is CCNC(=O)c1ccncc1C(=O)NCC.
What is the InChIKey of 3-N,4-N-diethylpyridine-3,4-dicarboxamide?
The InChIKey is IMVVRBNLCUUWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-13-10(15)8-5-6-12-7-9(8)11(16)14-4-2/h5-7H,3-4H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 3-N,4-N-diethylpyridine-3,4-dicarboxamide?
3-N,4-N-diethylpyridine-3,4-dicarboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N-diethylpyridine-3,4-dicarboxamide is sourced from PubChem (CID 14527703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).