N-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide

C18H23N3O — CID 109231681

IUPACN-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide
SMILESCCCCN(C)c1cncc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H23N3O/c1-3-4-10-21(2)17-11-16(13-19-14-17)18(22)20-12-15-8-6-5-7-9-15/h5-9,11,13-14H,3-4,10,12H2,1-2H3,(H,20,22)
InChIKeyRDWPUDINAMPJDD-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.25
Rot. Bonds7

About N-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide

N-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide (PubChem CID 109231681) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide
PubChem CID109231681
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide
SMILESCCCCN(C)c1cncc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H23N3O/c1-3-4-10-21(2)17-11-16(13-19-14-17)18(22)20-12-15-8-6-5-7-9-15/h5-9,11,13-14H,3-4,10,12H2,1-2H3,(H,20,22)
InChIKeyRDWPUDINAMPJDD-UHFFFAOYSA-N
XLogP3.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[butyl(methyl)amino]-N-phenylpyridine-3-carboxamide
CID 109240365
5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109233157
N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109231703
5-[butyl(methyl)amino]-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109240389
5-[butyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236852
N-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109224385
5-[butyl(methyl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109240367
5-[butyl(methyl)amino]-N,N-diethylpyridine-3-carboxamide
CID 109238765
5-[butyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide
CID 109223633
N-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109232504
5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide
CID 109237075
5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide
CID 109231838

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide (CID 109231681) is N-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide is CCCCN(C)c1cncc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide?
The InChIKey is RDWPUDINAMPJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-4-10-21(2)17-11-16(13-19-14-17)18(22)20-12-15-8-6-5-7-9-15/h5-9,11,13-14H,3-4,10,12H2,1-2H3,(H,20,22).
What are the key properties of N-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide?
N-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 109231681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).