N-[2-[N-[2-(pyridine-2-carbonylamino)ethyl]anilino]ethyl]pyridine-2-carboxamide

C44H46N10O4 — CID 139085665

IUPACN-[2-[N-[2-(pyridine-2-carbonylamino)ethyl]anilino]ethyl]pyridine-2-carboxamide
SMILESO=C(NCCN(CCNC(=O)c1ccccn1)c1ccccc1)c1ccccn1.O=C(NCCN(CCNC(=O)c1ccccn1)c1ccccc1)c1ccccn1
InChIInChI=1S/2C22H23N5O2/c2*28-21(19-10-4-6-12-23-19)25-14-16-27(18-8-2-1-3-9-18)17-15-26-22(29)20-11-5-7-13-24-20/h2*1-13H,14-17H2,(H,25,28)(H,26,29)
InChIKeyQJZDWJDFFQJJII-UHFFFAOYSA-N
MW778.92 g/mol
LogP4.29
Rot. Bonds18

About N-[2-[N-[2-(pyridine-2-carbonylamino)ethyl]anilino]ethyl]pyridine-2-carboxamide

N-[2-[N-[2-(pyridine-2-carbonylamino)ethyl]anilino]ethyl]pyridine-2-carboxamide (PubChem CID 139085665) has the molecular formula C44H46N10O4 and a molecular weight of 778.92 g/mol. Its IUPAC name is N-[2-[N-[2-(pyridine-2-carbonylamino)ethyl]anilino]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[N-[2-(pyridine-2-carbonylamino)ethyl]anilino]ethyl]pyridine-2-carboxamide
PubChem CID139085665
Molecular FormulaC44H46N10O4
Molecular Weight778.92 g/mol
Exact Mass778.37
IUPAC NameN-[2-[N-[2-(pyridine-2-carbonylamino)ethyl]anilino]ethyl]pyridine-2-carboxamide
SMILESO=C(NCCN(CCNC(=O)c1ccccn1)c1ccccc1)c1ccccn1.O=C(NCCN(CCNC(=O)c1ccccn1)c1ccccc1)c1ccccn1
InChIInChI=1S/2C22H23N5O2/c2*28-21(19-10-4-6-12-23-19)25-14-16-27(18-8-2-1-3-9-18)17-15-26-22(29)20-11-5-7-13-24-20/h2*1-13H,14-17H2,(H,25,28)(H,26,29)
InChIKeyQJZDWJDFFQJJII-UHFFFAOYSA-N
XLogP4.29
TPSA174.44 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms58
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500778.92
LogP ≤ 54.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[2-[N-[2-(pyridine-2-carbonylamino)ethyl]anilino]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[N-[2-(pyridine-2-carbonylamino)ethyl]anilino]ethyl]pyridine-2-carboxamide (CID 139085665) is N-[2-[N-[2-(pyridine-2-carbonylamino)ethyl]anilino]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[N-[2-(pyridine-2-carbonylamino)ethyl]anilino]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[N-[2-(pyridine-2-carbonylamino)ethyl]anilino]ethyl]pyridine-2-carboxamide is O=C(NCCN(CCNC(=O)c1ccccn1)c1ccccc1)c1ccccn1.O=C(NCCN(CCNC(=O)c1ccccn1)c1ccccc1)c1ccccn1.
What is the InChIKey of N-[2-[N-[2-(pyridine-2-carbonylamino)ethyl]anilino]ethyl]pyridine-2-carboxamide?
The InChIKey is QJZDWJDFFQJJII-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H23N5O2/c2*28-21(19-10-4-6-12-23-19)25-14-16-27(18-8-2-1-3-9-18)17-15-26-22(29)20-11-5-7-13-24-20/h2*1-13H,14-17H2,(H,25,28)(H,26,29).
What are the key properties of N-[2-[N-[2-(pyridine-2-carbonylamino)ethyl]anilino]ethyl]pyridine-2-carboxamide?
N-[2-[N-[2-(pyridine-2-carbonylamino)ethyl]anilino]ethyl]pyridine-2-carboxamide has a molecular weight of 778.92 g/mol, XLogP of 4.29, 18 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-[2-(pyridine-2-carbonylamino)ethyl]anilino]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 139085665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).