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

C18H23N5O2 — CID 661473

IUPACN-[3-[3-(pyridine-2-carbonylamino)propylamino]propyl]pyridine-2-carboxamide
SMILESO=C(NCCCNCCCNC(=O)c1ccccn1)c1ccccn1
InChIInChI=1S/C18H23N5O2/c24-17(15-7-1-3-11-20-15)22-13-5-9-19-10-6-14-23-18(25)16-8-2-4-12-21-16/h1-4,7-8,11-12,19H,5-6,9-10,13-14H2,(H,22,24)(H,23,25)
InChIKeyXVLZUGWCJACEOC-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.01
Rot. Bonds10

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

N-[3-[3-(pyridine-2-carbonylamino)propylamino]propyl]pyridine-2-carboxamide (PubChem CID 661473) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[3-[3-(pyridine-2-carbonylamino)propylamino]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(pyridine-2-carbonylamino)propylamino]propyl]pyridine-2-carboxamide
PubChem CID661473
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC NameN-[3-[3-(pyridine-2-carbonylamino)propylamino]propyl]pyridine-2-carboxamide
SMILESO=C(NCCCNCCCNC(=O)c1ccccn1)c1ccccn1
InChIInChI=1S/C18H23N5O2/c24-17(15-7-1-3-11-20-15)22-13-5-9-19-10-6-14-23-18(25)16-8-2-4-12-21-16/h1-4,7-8,11-12,19H,5-6,9-10,13-14H2,(H,22,24)(H,23,25)
InChIKeyXVLZUGWCJACEOC-UHFFFAOYSA-N
XLogP1.01
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.01
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(pyridine-2-carbonylamino)propylamino]propyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[3-(pyridine-2-carbonylamino)propylamino]propyl]pyridine-2-carboxamide (CID 661473) is N-[3-[3-(pyridine-2-carbonylamino)propylamino]propyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[3-(pyridine-2-carbonylamino)propylamino]propyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[3-(pyridine-2-carbonylamino)propylamino]propyl]pyridine-2-carboxamide is O=C(NCCCNCCCNC(=O)c1ccccn1)c1ccccn1.
What is the InChIKey of N-[3-[3-(pyridine-2-carbonylamino)propylamino]propyl]pyridine-2-carboxamide?
The InChIKey is XVLZUGWCJACEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-17(15-7-1-3-11-20-15)22-13-5-9-19-10-6-14-23-18(25)16-8-2-4-12-21-16/h1-4,7-8,11-12,19H,5-6,9-10,13-14H2,(H,22,24)(H,23,25).
What are the key properties of N-[3-[3-(pyridine-2-carbonylamino)propylamino]propyl]pyridine-2-carboxamide?
N-[3-[3-(pyridine-2-carbonylamino)propylamino]propyl]pyridine-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.01, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(pyridine-2-carbonylamino)propylamino]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 661473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).