6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide

C19H25N3O — CID 109152040

IUPAC6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(N(CC)Cc2ccccc2)nc1
InChIInChI=1S/C19H25N3O/c1-4-15(3)21-19(23)17-11-12-18(20-13-17)22(5-2)14-16-9-7-6-8-10-16/h6-13,15H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyKTJCOLZVOPSQON-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.64
Rot. Bonds7

About 6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide

6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide (PubChem CID 109152040) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide
PubChem CID109152040
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(N(CC)Cc2ccccc2)nc1
InChIInChI=1S/C19H25N3O/c1-4-15(3)21-19(23)17-11-12-18(20-13-17)22(5-2)14-16-9-7-6-8-10-16/h6-13,15H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyKTJCOLZVOPSQON-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

6-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 109157548
6-(diethylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 47080109
2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide
CID 109248842
5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide
CID 109181423
2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide
CID 109248973
6-[benzyl(ethyl)amino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109157535
6-[benzyl(ethyl)amino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153623
1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea
CID 113012624
1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109155193
2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256352
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113012566
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-4-methylbenzamide
CID 113012579

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide (CID 109152040) is 6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide is CCC(C)NC(=O)c1ccc(N(CC)Cc2ccccc2)nc1.
What is the InChIKey of 6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide?
The InChIKey is KTJCOLZVOPSQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-15(3)21-19(23)17-11-12-18(20-13-17)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 6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide?
6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-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 6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 109152040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).