3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide

C18H29N3O2 — CID 109107218

IUPAC3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
SMILESCCCCCNC(=O)c1cncc(C(=O)N(CCC)CCC)c1
InChIInChI=1S/C18H29N3O2/c1-4-7-8-9-20-17(22)15-12-16(14-19-13-15)18(23)21(10-5-2)11-6-3/h12-14H,4-11H2,1-3H3,(H,20,22)
InChIKeyITDBVQQSSWUINA-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.26
Rot. Bonds10

About 3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide

3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide (PubChem CID 109107218) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
PubChem CID109107218
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
SMILESCCCCCNC(=O)c1cncc(C(=O)N(CCC)CCC)c1
InChIInChI=1S/C18H29N3O2/c1-4-7-8-9-20-17(22)15-12-16(14-19-13-15)18(23)21(10-5-2)11-6-3/h12-14H,4-11H2,1-3H3,(H,20,22)
InChIKeyITDBVQQSSWUINA-UHFFFAOYSA-N
XLogP3.26
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-(3-methoxypropyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109103626
3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101794
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
3-N-[2-(2-fluorophenyl)ethyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109106315
5-(butylamino)-N,N-dipropylpyridine-3-carboxamide
CID 109224616
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide
CID 109106595
5-N-cyclopentyl-3-N-pentylpyridine-3,5-dicarboxamide
CID 109102730
1-N,3-N,3-N-tris-decylbenzene-1,3,5-tricarboxamide
CID 121284589
5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109103454
5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide
CID 109101145
3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109104880

Frequently Asked Questions

What is the IUPAC name of 3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide (CID 109107218) is 3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide is CCCCCNC(=O)c1cncc(C(=O)N(CCC)CCC)c1.
What is the InChIKey of 3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide?
The InChIKey is ITDBVQQSSWUINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-7-8-9-20-17(22)15-12-16(14-19-13-15)18(23)21(10-5-2)11-6-3/h12-14H,4-11H2,1-3H3,(H,20,22).
What are the key properties of 3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide?
3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide has a molecular weight of 319.45 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109107218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).