3-N,3-N-dipropyl-5-pyridin-3-ylbenzene-1,3-dicarboxamide

C19H23N3O2 — CID 21086057

IUPAC3-N,3-N-dipropyl-5-pyridin-3-ylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C(N)=O)cc(-c2cccnc2)c1
InChIInChI=1S/C19H23N3O2/c1-3-8-22(9-4-2)19(24)17-11-15(10-16(12-17)18(20)23)14-6-5-7-21-13-14/h5-7,10-13H,3-4,8-9H2,1-2H3,(H2,20,23)
InChIKeyBCDHLRPRJJSIJK-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.11
Rot. Bonds7

About 3-N,3-N-dipropyl-5-pyridin-3-ylbenzene-1,3-dicarboxamide

3-N,3-N-dipropyl-5-pyridin-3-ylbenzene-1,3-dicarboxamide (PubChem CID 21086057) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-N,3-N-dipropyl-5-pyridin-3-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N-dipropyl-5-pyridin-3-ylbenzene-1,3-dicarboxamide
PubChem CID21086057
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-N,3-N-dipropyl-5-pyridin-3-ylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C(N)=O)cc(-c2cccnc2)c1
InChIInChI=1S/C19H23N3O2/c1-3-8-22(9-4-2)19(24)17-11-15(10-16(12-17)18(20)23)14-6-5-7-21-13-14/h5-7,10-13H,3-4,8-9H2,1-2H3,(H2,20,23)
InChIKeyBCDHLRPRJJSIJK-UHFFFAOYSA-N
XLogP3.11
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 60670678
N-butyl-N-propylpyridine-3-carboxamide
CID 71107257
3-pyridin-3-ylbenzamide;hydrochloride
CID 175813431
5-formyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 142195355
N-(3,3-dimethylbutyl)-N-propylpyridine-3-carboxamide
CID 18735846
5-[1-(ethoxymethyl)imidazol-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 142673219
N-[(E)-3-phenylprop-2-enyl]-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 50961931
3-(dipropylcarbamoyl)-5-quinolin-8-ylbenzoic acid
CID 21085789
methyl 2-[propyl(pyridine-3-carbonyl)amino]acetate
CID 55005855
5-N,5-N-dipropylpyridine-2,5-dicarboxamide
CID 47460392
ethyl 3-fluoro-5-pyridin-3-ylbenzoate
CID 46317693
1-(5-pyridin-3-yl-3-pyridinyl)ethanone
CID 20802831

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dipropyl-5-pyridin-3-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N,3-N-dipropyl-5-pyridin-3-ylbenzene-1,3-dicarboxamide (CID 21086057) is 3-N,3-N-dipropyl-5-pyridin-3-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N,3-N-dipropyl-5-pyridin-3-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N,3-N-dipropyl-5-pyridin-3-ylbenzene-1,3-dicarboxamide is CCCN(CCC)C(=O)c1cc(C(N)=O)cc(-c2cccnc2)c1.
What is the InChIKey of 3-N,3-N-dipropyl-5-pyridin-3-ylbenzene-1,3-dicarboxamide?
The InChIKey is BCDHLRPRJJSIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-8-22(9-4-2)19(24)17-11-15(10-16(12-17)18(20)23)14-6-5-7-21-13-14/h5-7,10-13H,3-4,8-9H2,1-2H3,(H2,20,23).
What are the key properties of 3-N,3-N-dipropyl-5-pyridin-3-ylbenzene-1,3-dicarboxamide?
3-N,3-N-dipropyl-5-pyridin-3-ylbenzene-1,3-dicarboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dipropyl-5-pyridin-3-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 21086057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).