nonanedioic acid;N-pyridin-2-ylpyridine-3-carboxamide

C20H25N3O5 — CID 139146011

IUPACnonanedioic acid;N-pyridin-2-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccccn1)c1cccnc1.O=C(O)CCCCCCCC(=O)O
InChIInChI=1S/C11H9N3O.C9H16O4/c15-11(9-4-3-6-12-8-9)14-10-5-1-2-7-13-10;10-8(11)6-4-2-1-3-5-7-9(12)13/h1-8H,(H,13,14,15);1-7H2,(H,10,11)(H,12,13)
InChIKeyIHJBDINCCDUOCE-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.62
Rot. Bonds10

About nonanedioic acid;N-pyridin-2-ylpyridine-3-carboxamide

nonanedioic acid;N-pyridin-2-ylpyridine-3-carboxamide (PubChem CID 139146011) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is nonanedioic acid;N-pyridin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Namenonanedioic acid;N-pyridin-2-ylpyridine-3-carboxamide
PubChem CID139146011
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Namenonanedioic acid;N-pyridin-2-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccccn1)c1cccnc1.O=C(O)CCCCCCCC(=O)O
InChIInChI=1S/C11H9N3O.C9H16O4/c15-11(9-4-3-6-12-8-9)14-10-5-1-2-7-13-10;10-8(11)6-4-2-1-3-5-7-9(12)13/h1-8H,(H,13,14,15);1-7H2,(H,10,11)(H,12,13)
InChIKeyIHJBDINCCDUOCE-UHFFFAOYSA-N
XLogP3.62
TPSA129.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 158820949
N'-pyridin-2-ylpyridine-3-carbohydrazide
CID 69416476
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CID 107272327
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151
N-pyridazin-3-ylpyridine-3-carboxamide
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N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-2-carboxamide
CID 108925361
(E)-12-phenyl-12-pyridin-3-yldodec-11-enoic acid
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(E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid
CID 13417263
N-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 67819049
5-amino-N-pyridin-2-ylpyridine-3-carboxamide
CID 110488361
5-oxo-5-phenyl-N-pyridin-2-ylpentanamide
CID 108796237
N-pyridin-2-yl-2-pyridin-3-yloxyacetamide
CID 110487862

Frequently Asked Questions

What is the IUPAC name of nonanedioic acid;N-pyridin-2-ylpyridine-3-carboxamide?
The IUPAC name of nonanedioic acid;N-pyridin-2-ylpyridine-3-carboxamide (CID 139146011) is nonanedioic acid;N-pyridin-2-ylpyridine-3-carboxamide.
What is the SMILES notation for nonanedioic acid;N-pyridin-2-ylpyridine-3-carboxamide?
The canonical SMILES for nonanedioic acid;N-pyridin-2-ylpyridine-3-carboxamide is O=C(Nc1ccccn1)c1cccnc1.O=C(O)CCCCCCCC(=O)O.
What is the InChIKey of nonanedioic acid;N-pyridin-2-ylpyridine-3-carboxamide?
The InChIKey is IHJBDINCCDUOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O.C9H16O4/c15-11(9-4-3-6-12-8-9)14-10-5-1-2-7-13-10;10-8(11)6-4-2-1-3-5-7-9(12)13/h1-8H,(H,13,14,15);1-7H2,(H,10,11)(H,12,13).
What are the key properties of nonanedioic acid;N-pyridin-2-ylpyridine-3-carboxamide?
nonanedioic acid;N-pyridin-2-ylpyridine-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.62, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nonanedioic acid;N-pyridin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 139146011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).