2,2-dibutyl-N-pyridin-2-yl-N'-quinolin-8-ylpropanediamide

C25H30N4O2 — CID 10093491

IUPAC2,2-dibutyl-N-pyridin-2-yl-N'-quinolin-8-ylpropanediamide
SMILESCCCCC(CCCC)(C(=O)Nc1ccccn1)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C25H30N4O2/c1-3-5-15-25(16-6-4-2,24(31)29-21-14-7-8-17-26-21)23(30)28-20-13-9-11-19-12-10-18-27-22(19)20/h7-14,17-18H,3-6,15-16H2,1-2H3,(H,28,30)(H,26,29,31)
InChIKeySACUDKRJZIPSFE-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.57
Rot. Bonds10

About 2,2-dibutyl-N-pyridin-2-yl-N'-quinolin-8-ylpropanediamide

2,2-dibutyl-N-pyridin-2-yl-N'-quinolin-8-ylpropanediamide (PubChem CID 10093491) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2,2-dibutyl-N-pyridin-2-yl-N'-quinolin-8-ylpropanediamide.

Molecular Properties

Compound Name2,2-dibutyl-N-pyridin-2-yl-N'-quinolin-8-ylpropanediamide
PubChem CID10093491
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name2,2-dibutyl-N-pyridin-2-yl-N'-quinolin-8-ylpropanediamide
SMILESCCCCC(CCCC)(C(=O)Nc1ccccn1)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C25H30N4O2/c1-3-5-15-25(16-6-4-2,24(31)29-21-14-7-8-17-26-21)23(30)28-20-13-9-11-19-12-10-18-27-22(19)20/h7-14,17-18H,3-6,15-16H2,1-2H3,(H,28,30)(H,26,29,31)
InChIKeySACUDKRJZIPSFE-UHFFFAOYSA-N
XLogP5.57
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-phenyl-N-quinolin-8-ylheptanamide
CID 102129340
N'-pyridin-2-yl-N-quinolin-8-yloxamide
CID 108525948
1-pyridin-2-yl-3-quinolin-8-ylurea
CID 110491789
2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide
CID 14812883
N-quinolin-8-ylundecanamide
CID 3567928
2,2-dimethyl-5-phenyl-N-quinolin-8-ylpentanamide
CID 132571622
2,2-dimethyl-N-quinolin-8-ylpropanamide;molecular hydrogen
CID 143593011
2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide
CID 132522019
1-propyl-3-quinolin-8-ylurea
CID 13078451
4-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide
CID 20895152
2,2-dimethyl-N-quinolin-8-ylpent-4-enamide
CID 170781883
2-ethyl-N-quinolin-8-ylundecanamide
CID 72712401

Frequently Asked Questions

What is the IUPAC name of 2,2-dibutyl-N-pyridin-2-yl-N'-quinolin-8-ylpropanediamide?
The IUPAC name of 2,2-dibutyl-N-pyridin-2-yl-N'-quinolin-8-ylpropanediamide (CID 10093491) is 2,2-dibutyl-N-pyridin-2-yl-N'-quinolin-8-ylpropanediamide.
What is the SMILES notation for 2,2-dibutyl-N-pyridin-2-yl-N'-quinolin-8-ylpropanediamide?
The canonical SMILES for 2,2-dibutyl-N-pyridin-2-yl-N'-quinolin-8-ylpropanediamide is CCCCC(CCCC)(C(=O)Nc1ccccn1)C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2,2-dibutyl-N-pyridin-2-yl-N'-quinolin-8-ylpropanediamide?
The InChIKey is SACUDKRJZIPSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-3-5-15-25(16-6-4-2,24(31)29-21-14-7-8-17-26-21)23(30)28-20-13-9-11-19-12-10-18-27-22(19)20/h7-14,17-18H,3-6,15-16H2,1-2H3,(H,28,30)(H,26,29,31).
What are the key properties of 2,2-dibutyl-N-pyridin-2-yl-N'-quinolin-8-ylpropanediamide?
2,2-dibutyl-N-pyridin-2-yl-N'-quinolin-8-ylpropanediamide has a molecular weight of 418.54 g/mol, XLogP of 5.57, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutyl-N-pyridin-2-yl-N'-quinolin-8-ylpropanediamide is sourced from PubChem (CID 10093491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).