hexanedioic acid;pyridine-2-carboxamide

C12H16N2O5 — CID 139198135

IUPAChexanedioic acid;pyridine-2-carboxamide
SMILESNC(=O)c1ccccn1.O=C(O)CCCCC(=O)O
InChIInChI=1S/C6H6N2O.C6H10O4/c7-6(9)5-3-1-2-4-8-5;7-5(8)3-1-2-4-6(9)10/h1-4H,(H2,7,9);1-4H2,(H,7,8)(H,9,10)
InChIKeyFSFUQSBSDMFJAZ-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.90
Rot. Bonds6

About hexanedioic acid;pyridine-2-carboxamide

hexanedioic acid;pyridine-2-carboxamide (PubChem CID 139198135) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is hexanedioic acid;pyridine-2-carboxamide.

Molecular Properties

Compound Namehexanedioic acid;pyridine-2-carboxamide
PubChem CID139198135
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Namehexanedioic acid;pyridine-2-carboxamide
SMILESNC(=O)c1ccccn1.O=C(O)CCCCC(=O)O
InChIInChI=1S/C6H6N2O.C6H10O4/c7-6(9)5-3-1-2-4-8-5;7-5(8)3-1-2-4-6(9)10/h1-4H,(H2,7,9);1-4H2,(H,7,8)(H,9,10)
InChIKeyFSFUQSBSDMFJAZ-UHFFFAOYSA-N
XLogP0.90
TPSA130.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexanedioic acid;pyridine-2-carboxamide?
The IUPAC name of hexanedioic acid;pyridine-2-carboxamide (CID 139198135) is hexanedioic acid;pyridine-2-carboxamide.
What is the SMILES notation for hexanedioic acid;pyridine-2-carboxamide?
The canonical SMILES for hexanedioic acid;pyridine-2-carboxamide is NC(=O)c1ccccn1.O=C(O)CCCCC(=O)O.
What is the InChIKey of hexanedioic acid;pyridine-2-carboxamide?
The InChIKey is FSFUQSBSDMFJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O.C6H10O4/c7-6(9)5-3-1-2-4-8-5;7-5(8)3-1-2-4-6(9)10/h1-4H,(H2,7,9);1-4H2,(H,7,8)(H,9,10).
What are the key properties of hexanedioic acid;pyridine-2-carboxamide?
hexanedioic acid;pyridine-2-carboxamide has a molecular weight of 268.27 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexanedioic acid;pyridine-2-carboxamide is sourced from PubChem (CID 139198135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).