N-[5-(pyridine-3-carbonylamino)pentyl]pyridine-3-carboxamide

C17H20N4O2 — CID 645417

IUPACN-[5-(pyridine-3-carbonylamino)pentyl]pyridine-3-carboxamide
SMILESO=C(NCCCCCNC(=O)c1cccnc1)c1cccnc1
InChIInChI=1S/C17H20N4O2/c22-16(14-6-4-8-18-12-14)20-10-2-1-3-11-21-17(23)15-7-5-9-19-13-15/h4-9,12-13H,1-3,10-11H2,(H,20,22)(H,21,23)
InChIKeyYZECGMZAFAXCBY-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.81
Rot. Bonds8

About N-[5-(pyridine-3-carbonylamino)pentyl]pyridine-3-carboxamide

N-[5-(pyridine-3-carbonylamino)pentyl]pyridine-3-carboxamide (PubChem CID 645417) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[5-(pyridine-3-carbonylamino)pentyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(pyridine-3-carbonylamino)pentyl]pyridine-3-carboxamide
PubChem CID645417
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[5-(pyridine-3-carbonylamino)pentyl]pyridine-3-carboxamide
SMILESO=C(NCCCCCNC(=O)c1cccnc1)c1cccnc1
InChIInChI=1S/C17H20N4O2/c22-16(14-6-4-8-18-12-14)20-10-2-1-3-11-21-17(23)15-7-5-9-19-13-15/h4-9,12-13H,1-3,10-11H2,(H,20,22)(H,21,23)
InChIKeyYZECGMZAFAXCBY-UHFFFAOYSA-N
XLogP1.81
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
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 N-[5-(pyridine-3-carbonylamino)pentyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-(pyridine-3-carbonylamino)pentyl]pyridine-3-carboxamide (CID 645417) is N-[5-(pyridine-3-carbonylamino)pentyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(pyridine-3-carbonylamino)pentyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(pyridine-3-carbonylamino)pentyl]pyridine-3-carboxamide is O=C(NCCCCCNC(=O)c1cccnc1)c1cccnc1.
What is the InChIKey of N-[5-(pyridine-3-carbonylamino)pentyl]pyridine-3-carboxamide?
The InChIKey is YZECGMZAFAXCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-16(14-6-4-8-18-12-14)20-10-2-1-3-11-21-17(23)15-7-5-9-19-13-15/h4-9,12-13H,1-3,10-11H2,(H,20,22)(H,21,23).
What are the key properties of N-[5-(pyridine-3-carbonylamino)pentyl]pyridine-3-carboxamide?
N-[5-(pyridine-3-carbonylamino)pentyl]pyridine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(pyridine-3-carbonylamino)pentyl]pyridine-3-carboxamide is sourced from PubChem (CID 645417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).