N-[5-(dibutylamino)-2-pyridinyl]-3-ethylbenzamide

C22H31N3O — CID 164526063

IUPACN-[5-(dibutylamino)-2-pyridinyl]-3-ethylbenzamide
SMILESCCCCN(CCCC)c1ccc(NC(=O)c2cccc(CC)c2)nc1
InChIInChI=1S/C22H31N3O/c1-4-7-14-25(15-8-5-2)20-12-13-21(23-17-20)24-22(26)19-11-9-10-18(6-3)16-19/h9-13,16-17H,4-8,14-15H2,1-3H3,(H,23,24,26)
InChIKeyALLPQHUCCHANKT-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.30
Rot. Bonds10

About N-[5-(dibutylamino)-2-pyridinyl]-3-ethylbenzamide

N-[5-(dibutylamino)-2-pyridinyl]-3-ethylbenzamide (PubChem CID 164526063) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[5-(dibutylamino)-2-pyridinyl]-3-ethylbenzamide.

Molecular Properties

Compound NameN-[5-(dibutylamino)-2-pyridinyl]-3-ethylbenzamide
PubChem CID164526063
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC NameN-[5-(dibutylamino)-2-pyridinyl]-3-ethylbenzamide
SMILESCCCCN(CCCC)c1ccc(NC(=O)c2cccc(CC)c2)nc1
InChIInChI=1S/C22H31N3O/c1-4-7-14-25(15-8-5-2)20-12-13-21(23-17-20)24-22(26)19-11-9-10-18(6-3)16-19/h9-13,16-17H,4-8,14-15H2,1-3H3,(H,23,24,26)
InChIKeyALLPQHUCCHANKT-UHFFFAOYSA-N
XLogP5.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dibutylamino)-2-pyridinyl]-3-ethylbenzamide?
The IUPAC name of N-[5-(dibutylamino)-2-pyridinyl]-3-ethylbenzamide (CID 164526063) is N-[5-(dibutylamino)-2-pyridinyl]-3-ethylbenzamide.
What is the SMILES notation for N-[5-(dibutylamino)-2-pyridinyl]-3-ethylbenzamide?
The canonical SMILES for N-[5-(dibutylamino)-2-pyridinyl]-3-ethylbenzamide is CCCCN(CCCC)c1ccc(NC(=O)c2cccc(CC)c2)nc1.
What is the InChIKey of N-[5-(dibutylamino)-2-pyridinyl]-3-ethylbenzamide?
The InChIKey is ALLPQHUCCHANKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-4-7-14-25(15-8-5-2)20-12-13-21(23-17-20)24-22(26)19-11-9-10-18(6-3)16-19/h9-13,16-17H,4-8,14-15H2,1-3H3,(H,23,24,26).
What are the key properties of N-[5-(dibutylamino)-2-pyridinyl]-3-ethylbenzamide?
N-[5-(dibutylamino)-2-pyridinyl]-3-ethylbenzamide has a molecular weight of 353.51 g/mol, XLogP of 5.30, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dibutylamino)-2-pyridinyl]-3-ethylbenzamide is sourced from PubChem (CID 164526063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).