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

C22H23N5O2 — CID 139085666

IUPACN-[2-[N-[2-(pyridine-2-carbonylamino)ethyl]anilino]ethyl]pyridine-2-carboxamide
SMILESO=C(NCCN(CCNC(=O)c1ccccn1)c1ccccc1)c1ccccn1
InChIInChI=1S/C22H23N5O2/c28-21(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/h1-13H,14-17H2,(H,25,28)(H,26,29)
InChIKeyALQXWQBRZZLITJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.14
Rot. Bonds9

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 139085666) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 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 CID139085666
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[2-[N-[2-(pyridine-2-carbonylamino)ethyl]anilino]ethyl]pyridine-2-carboxamide
SMILESO=C(NCCN(CCNC(=O)c1ccccn1)c1ccccc1)c1ccccn1
InChIInChI=1S/C22H23N5O2/c28-21(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/h1-13H,14-17H2,(H,25,28)(H,26,29)
InChIKeyALQXWQBRZZLITJ-UHFFFAOYSA-N
XLogP2.14
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[methyl-[2-(pyridine-2-carbonylamino)ethyl]amino]ethyl]pyridine-2-carboxamide
CID 15495474
N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 31316694
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
N-[3-[methyl-[3-(methylamino)propyl]amino]propyl]pyridine-2-carboxamide
CID 59828295
acetic acid;N-ethylpyridine-2-carboxamide
CID 174901243
N-[2-(2-hydroxyphenyl)ethyl]pyridine-2-carboxamide
CID 110672365
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
N-(2-hydroxyethyl)pyridine-2-carboxamide;nitric acid
CID 157371793
(E)-but-2-enedioic acid;N-[3-[3-(pyridine-2-carbonylamino)propylamino]propyl]pyridine-2-carboxamide
CID 155880885
N-phenacylpyridine-2-carboxamide
CID 64991609

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 139085666) 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.
What is the InChIKey of N-[2-[N-[2-(pyridine-2-carbonylamino)ethyl]anilino]ethyl]pyridine-2-carboxamide?
The InChIKey is ALQXWQBRZZLITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-21(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/h1-13H,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 389.46 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 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 139085666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).