2-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide

C14H23N3O — CID 62178139

IUPAC2-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)N(C)CCC(C)C
InChIInChI=1S/C14H23N3O/c1-5-15-13-12(7-6-9-16-13)14(18)17(4)10-8-11(2)3/h6-7,9,11H,5,8,10H2,1-4H3,(H,15,16)
InChIKeyKFFXUHRLNAGHTC-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.63
Rot. Bonds6

About 2-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide

2-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide (PubChem CID 62178139) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
PubChem CID62178139
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)N(C)CCC(C)C
InChIInChI=1S/C14H23N3O/c1-5-15-13-12(7-6-9-16-13)14(18)17(4)10-8-11(2)3/h6-7,9,11H,5,8,10H2,1-4H3,(H,15,16)
InChIKeyKFFXUHRLNAGHTC-UHFFFAOYSA-N
XLogP2.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 112664065
2-(ethylamino)-N-methyl-N-(3-methylbutyl)benzamide
CID 62177256
2-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62168546
2-amino-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62185668
2-(ethylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79487895
N-butyl-N-methyl-2-(propylamino)pyridine-3-carboxamide
CID 62186071
N-methyl-2-(methylamino)-N-(3-methylbutyl)benzamide
CID 61377480
2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62176798
2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 63275138
3-fluoro-2-hydrazinyl-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 105388166
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide
CID 62179083
2-(ethylamino)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 62179768

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 2-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide (CID 62178139) is 2-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide is CCNc1ncccc1C(=O)N(C)CCC(C)C.
What is the InChIKey of 2-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is KFFXUHRLNAGHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-15-13-12(7-6-9-16-13)14(18)17(4)10-8-11(2)3/h6-7,9,11H,5,8,10H2,1-4H3,(H,15,16).
What are the key properties of 2-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide?
2-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 62178139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).