heptanedioic acid;N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide

C19H22N4O5 — CID 139203756

IUPACheptanedioic acid;N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1cccnc1)c1ccccn1.O=C(O)CCCCCC(=O)O
InChIInChI=1S/C12H10N4O.C7H12O4/c17-12(11-5-1-2-7-14-11)16-15-9-10-4-3-6-13-8-10;8-6(9)4-2-1-3-5-7(10)11/h1-9H,(H,16,17);1-5H2,(H,8,9)(H,10,11)/b15-9+;
InChIKeyLXWKWGRRSYNQIK-NSPIFIKESA-N
MW386.41 g/mol
LogP2.35
Rot. Bonds9

About heptanedioic acid;N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide

heptanedioic acid;N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide (PubChem CID 139203756) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is heptanedioic acid;N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound Nameheptanedioic acid;N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
PubChem CID139203756
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Nameheptanedioic acid;N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1cccnc1)c1ccccn1.O=C(O)CCCCCC(=O)O
InChIInChI=1S/C12H10N4O.C7H12O4/c17-12(11-5-1-2-7-14-11)16-15-9-10-4-3-6-13-8-10;8-6(9)4-2-1-3-5-7(10)11/h1-9H,(H,16,17);1-5H2,(H,8,9)(H,10,11)/b15-9+;
InChIKeyLXWKWGRRSYNQIK-NSPIFIKESA-N
XLogP2.35
TPSA141.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

nonanedioic acid;N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
CID 139203759
N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
CID 6870358
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
N-[(Z)-pyridin-3-ylmethylideneamino]decanamide
CID 6008044
N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide
CID 6018184
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6887460
N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 950938
N-[(Z)-(3-ethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 40618803
N-[(3-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 761649
2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide
CID 4674781
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]decanamide
CID 6002218

Frequently Asked Questions

What is the IUPAC name of heptanedioic acid;N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide?
The IUPAC name of heptanedioic acid;N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide (CID 139203756) is heptanedioic acid;N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for heptanedioic acid;N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide?
The canonical SMILES for heptanedioic acid;N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide is O=C(N/N=C/c1cccnc1)c1ccccn1.O=C(O)CCCCCC(=O)O.
What is the InChIKey of heptanedioic acid;N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide?
The InChIKey is LXWKWGRRSYNQIK-NSPIFIKESA-N. The full InChI is InChI=1S/C12H10N4O.C7H12O4/c17-12(11-5-1-2-7-14-11)16-15-9-10-4-3-6-13-8-10;8-6(9)4-2-1-3-5-7(10)11/h1-9H,(H,16,17);1-5H2,(H,8,9)(H,10,11)/b15-9+;.
What are the key properties of heptanedioic acid;N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide?
heptanedioic acid;N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 2.35, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for heptanedioic acid;N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 139203756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).