N-butyl-N-ethyl-5-(methylamino)pyridine-2-carboxamide

C13H21N3O — CID 104639781

IUPACN-butyl-N-ethyl-5-(methylamino)pyridine-2-carboxamide
SMILESCCCCN(CC)C(=O)c1ccc(NC)cn1
InChIInChI=1S/C13H21N3O/c1-4-6-9-16(5-2)13(17)12-8-7-11(14-3)10-15-12/h7-8,10,14H,4-6,9H2,1-3H3
InChIKeyZKFAKPBKQNCJCB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.39
Rot. Bonds6

About N-butyl-N-ethyl-5-(methylamino)pyridine-2-carboxamide

N-butyl-N-ethyl-5-(methylamino)pyridine-2-carboxamide (PubChem CID 104639781) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-butyl-N-ethyl-5-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-5-(methylamino)pyridine-2-carboxamide
PubChem CID104639781
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-butyl-N-ethyl-5-(methylamino)pyridine-2-carboxamide
SMILESCCCCN(CC)C(=O)c1ccc(NC)cn1
InChIInChI=1S/C13H21N3O/c1-4-6-9-16(5-2)13(17)12-8-7-11(14-3)10-15-12/h7-8,10,14H,4-6,9H2,1-3H3
InChIKeyZKFAKPBKQNCJCB-UHFFFAOYSA-N
XLogP2.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-hydrazinyl-N-propylpyridine-2-carboxamide
CID 104642611
N-ethyl-N-(2-hydroxyethyl)-5-(propylamino)pyridine-2-carboxamide
CID 113436109
N-butyl-5-cyano-N-ethylpyridine-2-carboxamide
CID 63719310
5-(methylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 113436082
5-(pentylamino)-N,N-dipropylpyridine-2-carboxamide
CID 109195823
N,N-diethyl-5-hydrazinylpyridine-2-carboxamide
CID 104642323
N-ethyl-5-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 104640524
5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide
CID 109194672
N-butyl-N-ethyl-5-(propylamino)pyrazine-2-carboxamide
CID 107374046
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 104641145
5-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
CID 115771489
N-butyl-N-ethyl-2-(methylamino)benzamide
CID 61377458

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-5-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-butyl-N-ethyl-5-(methylamino)pyridine-2-carboxamide (CID 104639781) is N-butyl-N-ethyl-5-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-5-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-5-(methylamino)pyridine-2-carboxamide is CCCCN(CC)C(=O)c1ccc(NC)cn1.
What is the InChIKey of N-butyl-N-ethyl-5-(methylamino)pyridine-2-carboxamide?
The InChIKey is ZKFAKPBKQNCJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-6-9-16(5-2)13(17)12-8-7-11(14-3)10-15-12/h7-8,10,14H,4-6,9H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-5-(methylamino)pyridine-2-carboxamide?
N-butyl-N-ethyl-5-(methylamino)pyridine-2-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-5-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104639781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).