5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide

C19H25N3O — CID 109181423

IUPAC5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(N(CC)Cc2ccccc2)cn1
InChIInChI=1S/C19H25N3O/c1-4-15(3)21-19(23)18-12-11-17(13-20-18)22(5-2)14-16-9-7-6-8-10-16/h6-13,15H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyZCFQOWYVOPOESM-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.64
Rot. Bonds7

About 5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide

5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide (PubChem CID 109181423) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide
PubChem CID109181423
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(N(CC)Cc2ccccc2)cn1
InChIInChI=1S/C19H25N3O/c1-4-15(3)21-19(23)18-12-11-17(13-20-18)22(5-2)14-16-9-7-6-8-10-16/h6-13,15H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyZCFQOWYVOPOESM-UHFFFAOYSA-N
XLogP3.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[benzyl(propan-2-yl)amino]-N-butan-2-ylpyridine-2-carboxamide
CID 109181465
5-[benzyl(ethyl)amino]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109190820
5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109190822
5-[benzyl(ethyl)amino]-N-cyclopentylpyridine-2-carboxamide
CID 109182187
6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 109152040
5-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 109190828
methyl 2-[[5-[benzyl(ethyl)amino]pyridine-2-carbonyl]amino]benzoate
CID 109190861
5-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109190853
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733
4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 109201321
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide?
The IUPAC name of 5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide (CID 109181423) is 5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide is CCC(C)NC(=O)c1ccc(N(CC)Cc2ccccc2)cn1.
What is the InChIKey of 5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide?
The InChIKey is ZCFQOWYVOPOESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-15(3)21-19(23)18-12-11-17(13-20-18)22(5-2)14-16-9-7-6-8-10-16/h6-13,15H,4-5,14H2,1-3H3,(H,21,23).
What are the key properties of 5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide?
5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 109181423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).