2-N,6-N-bis(3,4-diaminobutyl)pyridine-2,6-dicarboxamide

C15H27N7O2 — CID 102285423

IUPAC2-N,6-N-bis(3,4-diaminobutyl)pyridine-2,6-dicarboxamide
SMILESNCC(N)CCNC(=O)c1cccc(C(=O)NCCC(N)CN)n1
InChIInChI=1S/C15H27N7O2/c16-8-10(18)4-6-20-14(23)12-2-1-3-13(22-12)15(24)21-7-5-11(19)9-17/h1-3,10-11H,4-9,16-19H2,(H,20,23)(H,21,24)
InChIKeyFGLUNOYFNODMAL-UHFFFAOYSA-N
MW337.43 g/mol
LogP-2.11
Rot. Bonds10

About 2-N,6-N-bis(3,4-diaminobutyl)pyridine-2,6-dicarboxamide

2-N,6-N-bis(3,4-diaminobutyl)pyridine-2,6-dicarboxamide (PubChem CID 102285423) has the molecular formula C15H27N7O2 and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-N,6-N-bis(3,4-diaminobutyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(3,4-diaminobutyl)pyridine-2,6-dicarboxamide
PubChem CID102285423
Molecular FormulaC15H27N7O2
Molecular Weight337.43 g/mol
Exact Mass337.22
IUPAC Name2-N,6-N-bis(3,4-diaminobutyl)pyridine-2,6-dicarboxamide
SMILESNCC(N)CCNC(=O)c1cccc(C(=O)NCCC(N)CN)n1
InChIInChI=1S/C15H27N7O2/c16-8-10(18)4-6-20-14(23)12-2-1-3-13(22-12)15(24)21-7-5-11(19)9-17/h1-3,10-11H,4-9,16-19H2,(H,20,23)(H,21,24)
InChIKeyFGLUNOYFNODMAL-UHFFFAOYSA-N
XLogP-2.11
TPSA175.17 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.43
LogP ≤ 5-2.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109096551
6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide
CID 21352691
6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109099391
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 103917004
6-N-(4-chloro-2-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109099370
6-N-[(4-methoxyphenyl)methyl]-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109098012
3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120515163
6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 103916813
6-(2-propan-2-yloxyethylcarbamoyl)pyridine-2-carboxylic acid
CID 104764713
N-propyl-6-[6-(propylcarbamoyl)-2-pyridinyl]pyridine-2-carboxamide
CID 10980324
2-N,6-N-bis(1,3-dihydroxypropyl)pyridine-2,6-dicarboxamide
CID 22457897

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(3,4-diaminobutyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(3,4-diaminobutyl)pyridine-2,6-dicarboxamide (CID 102285423) is 2-N,6-N-bis(3,4-diaminobutyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(3,4-diaminobutyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(3,4-diaminobutyl)pyridine-2,6-dicarboxamide is NCC(N)CCNC(=O)c1cccc(C(=O)NCCC(N)CN)n1.
What is the InChIKey of 2-N,6-N-bis(3,4-diaminobutyl)pyridine-2,6-dicarboxamide?
The InChIKey is FGLUNOYFNODMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N7O2/c16-8-10(18)4-6-20-14(23)12-2-1-3-13(22-12)15(24)21-7-5-11(19)9-17/h1-3,10-11H,4-9,16-19H2,(H,20,23)(H,21,24).
What are the key properties of 2-N,6-N-bis(3,4-diaminobutyl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(3,4-diaminobutyl)pyridine-2,6-dicarboxamide has a molecular weight of 337.43 g/mol, XLogP of -2.11, 10 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(3,4-diaminobutyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 102285423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).