5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide

C18H23N3O — CID 109225138

IUPAC5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(N(C)Cc2ccccc2)c1
InChIInChI=1S/C18H23N3O/c1-4-14(2)20-18(22)16-10-17(12-19-11-16)21(3)13-15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3,(H,20,22)
InChIKeyWDDPEUSGQOJKHX-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.25
Rot. Bonds6

About 5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide

5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide (PubChem CID 109225138) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
PubChem CID109225138
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(N(C)Cc2ccccc2)c1
InChIInChI=1S/C18H23N3O/c1-4-14(2)20-18(22)16-10-17(12-19-11-16)21(3)13-15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3,(H,20,22)
InChIKeyWDDPEUSGQOJKHX-UHFFFAOYSA-N
XLogP3.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

2-[benzyl(methyl)amino]-N-butan-2-ylpyrimidine-5-carboxamide
CID 109248842
5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 50795469
5-[benzyl(methyl)amino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109233210
5-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109233203
5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109233157
5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109233202
5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109233234
2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide
CID 109248973
4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109044170
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
N-[(2R)-butan-2-yl]-5-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 93232609
6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 109152040

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide (CID 109225138) is 5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide is CCC(C)NC(=O)c1cncc(N(C)Cc2ccccc2)c1.
What is the InChIKey of 5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide?
The InChIKey is WDDPEUSGQOJKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-14(2)20-18(22)16-10-17(12-19-11-16)21(3)13-15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3,(H,20,22).
What are the key properties of 5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide?
5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 109225138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).