nonanedioic acid;bis(pyridine-4-carboxamide)

C21H28N4O6 — CID 139205511

IUPACnonanedioic acid;bis(pyridine-4-carboxamide)
SMILESNC(=O)c1ccncc1.NC(=O)c1ccncc1.O=C(O)CCCCCCCC(=O)O
InChIInChI=1S/C9H16O4.2C6H6N2O/c10-8(11)6-4-2-1-3-5-7-9(12)13;2*7-6(9)5-1-3-8-4-2-5/h1-7H2,(H,10,11)(H,12,13);2*1-4H,(H2,7,9)
InChIKeyVNLZACDYJLWCDO-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.25
Rot. Bonds10

About nonanedioic acid;bis(pyridine-4-carboxamide)

nonanedioic acid;bis(pyridine-4-carboxamide) (PubChem CID 139205511) has the molecular formula C21H28N4O6 and a molecular weight of 432.48 g/mol. Its IUPAC name is nonanedioic acid;bis(pyridine-4-carboxamide).

Molecular Properties

Compound Namenonanedioic acid;bis(pyridine-4-carboxamide)
PubChem CID139205511
Molecular FormulaC21H28N4O6
Molecular Weight432.48 g/mol
Exact Mass432.20
IUPAC Namenonanedioic acid;bis(pyridine-4-carboxamide)
SMILESNC(=O)c1ccncc1.NC(=O)c1ccncc1.O=C(O)CCCCCCCC(=O)O
InChIInChI=1S/C9H16O4.2C6H6N2O/c10-8(11)6-4-2-1-3-5-7-9(12)13;2*7-6(9)5-1-3-8-4-2-5/h1-7H2,(H,10,11)(H,12,13);2*1-4H,(H2,7,9)
InChIKeyVNLZACDYJLWCDO-UHFFFAOYSA-N
XLogP2.25
TPSA186.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 70513287
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CID 170336563
propan-2-one;pyridine-4-carboxamide
CID 174689468
6-pyridin-4-ylhexanoic acid
CID 12904562
benzene-1,3-dicarboxamide;hexanedioic acid
CID 175137558
benzamide;hexanoic acid
CID 19438402
7-[(4-carbamoylbenzoyl)amino]heptanoic acid
CID 43358997
copper;acetic acid;bis(pyridine-4-carboxamide);diacetate
CID 139155367
9-pyridin-4-ylsulfanylnonanoic acid
CID 139664242
benzamide;pyrazine
CID 67119172
zinc;bis(pyridine-4-carboxamide);diisothiocyanate
CID 139088078

Frequently Asked Questions

What is the IUPAC name of nonanedioic acid;bis(pyridine-4-carboxamide)?
The IUPAC name of nonanedioic acid;bis(pyridine-4-carboxamide) (CID 139205511) is nonanedioic acid;bis(pyridine-4-carboxamide).
What is the SMILES notation for nonanedioic acid;bis(pyridine-4-carboxamide)?
The canonical SMILES for nonanedioic acid;bis(pyridine-4-carboxamide) is NC(=O)c1ccncc1.NC(=O)c1ccncc1.O=C(O)CCCCCCCC(=O)O.
What is the InChIKey of nonanedioic acid;bis(pyridine-4-carboxamide)?
The InChIKey is VNLZACDYJLWCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4.2C6H6N2O/c10-8(11)6-4-2-1-3-5-7-9(12)13;2*7-6(9)5-1-3-8-4-2-5/h1-7H2,(H,10,11)(H,12,13);2*1-4H,(H2,7,9).
What are the key properties of nonanedioic acid;bis(pyridine-4-carboxamide)?
nonanedioic acid;bis(pyridine-4-carboxamide) has a molecular weight of 432.48 g/mol, XLogP of 2.25, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for nonanedioic acid;bis(pyridine-4-carboxamide) is sourced from PubChem (CID 139205511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).