N-[3-(pyridine-2-carbonylamino)propyl]pyridine-2-carboxamide

C15H16N4O2 — CID 647219

IUPACN-[3-(pyridine-2-carbonylamino)propyl]pyridine-2-carboxamide
SMILESO=C(NCCCNC(=O)c1ccccn1)c1ccccn1
InChIInChI=1S/C15H16N4O2/c20-14(12-6-1-3-8-16-12)18-10-5-11-19-15(21)13-7-2-4-9-17-13/h1-4,6-9H,5,10-11H2,(H,18,20)(H,19,21)
InChIKeyCUFORUJMFGJQHY-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.03
Rot. Bonds6

About N-[3-(pyridine-2-carbonylamino)propyl]pyridine-2-carboxamide

N-[3-(pyridine-2-carbonylamino)propyl]pyridine-2-carboxamide (PubChem CID 647219) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[3-(pyridine-2-carbonylamino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(pyridine-2-carbonylamino)propyl]pyridine-2-carboxamide
PubChem CID647219
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-[3-(pyridine-2-carbonylamino)propyl]pyridine-2-carboxamide
SMILESO=C(NCCCNC(=O)c1ccccn1)c1ccccn1
InChIInChI=1S/C15H16N4O2/c20-14(12-6-1-3-8-16-12)18-10-5-11-19-15(21)13-7-2-4-9-17-13/h1-4,6-9H,5,10-11H2,(H,18,20)(H,19,21)
InChIKeyCUFORUJMFGJQHY-UHFFFAOYSA-N
XLogP1.03
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.03
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-[3-(pyridine-2-carbonylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(pyridine-2-carbonylamino)propyl]pyridine-2-carboxamide (CID 647219) is N-[3-(pyridine-2-carbonylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(pyridine-2-carbonylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(pyridine-2-carbonylamino)propyl]pyridine-2-carboxamide is O=C(NCCCNC(=O)c1ccccn1)c1ccccn1.
What is the InChIKey of N-[3-(pyridine-2-carbonylamino)propyl]pyridine-2-carboxamide?
The InChIKey is CUFORUJMFGJQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-14(12-6-1-3-8-16-12)18-10-5-11-19-15(21)13-7-2-4-9-17-13/h1-4,6-9H,5,10-11H2,(H,18,20)(H,19,21).
What are the key properties of N-[3-(pyridine-2-carbonylamino)propyl]pyridine-2-carboxamide?
N-[3-(pyridine-2-carbonylamino)propyl]pyridine-2-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyridine-2-carbonylamino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 647219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).