5-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-3-carboxamide

C22H31N3O — CID 109239734

IUPAC5-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1cncc(N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C22H31N3O/c1-5-12-24(13-6-2)22(26)20-14-21(16-23-15-20)25(18(3)4)17-19-10-8-7-9-11-19/h7-11,14-16,18H,5-6,12-13,17H2,1-4H3
InChIKeyXKJASSKGVBQPPH-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.76
Rot. Bonds9

About 5-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-3-carboxamide

5-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-3-carboxamide (PubChem CID 109239734) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 5-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-3-carboxamide
PubChem CID109239734
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name5-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1cncc(N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C22H31N3O/c1-5-12-24(13-6-2)22(26)20-14-21(16-23-15-20)25(18(3)4)17-19-10-8-7-9-11-19/h7-11,14-16,18H,5-6,12-13,17H2,1-4H3
InChIKeyXKJASSKGVBQPPH-UHFFFAOYSA-N
XLogP4.76
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[benzyl(propan-2-yl)amino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109239775
4-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-2-carboxamide
CID 109217244
4-[5-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230766
5-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109239762
5-[benzyl(propan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234185
N-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109239700
5-[benzyl(propan-2-yl)amino]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109239760
[5-[benzyl(propan-2-yl)amino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109239732
[5-[benzyl(propan-2-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109239741
2-[benzyl(methyl)amino]-N,N-dipropylpyrimidine-5-carboxamide
CID 109256785
5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide
CID 109234838
5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide
CID 109240320

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-3-carboxamide?
The IUPAC name of 5-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-3-carboxamide (CID 109239734) is 5-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-3-carboxamide.
What is the SMILES notation for 5-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-3-carboxamide?
The canonical SMILES for 5-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-3-carboxamide is CCCN(CCC)C(=O)c1cncc(N(Cc2ccccc2)C(C)C)c1.
What is the InChIKey of 5-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-3-carboxamide?
The InChIKey is XKJASSKGVBQPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-5-12-24(13-6-2)22(26)20-14-21(16-23-15-20)25(18(3)4)17-19-10-8-7-9-11-19/h7-11,14-16,18H,5-6,12-13,17H2,1-4H3.
What are the key properties of 5-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-3-carboxamide?
5-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-3-carboxamide has a molecular weight of 353.51 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-3-carboxamide is sourced from PubChem (CID 109239734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).