N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide

C26H42N4O2 — CID 3136485

IUPACN-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide
SMILESCCN(CC)CCN(CC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)c1cccnc1
InChIInChI=1S/C26H42N4O2/c1-3-28(4-2)18-19-29(26(32)22-12-11-17-27-20-22)21-25(31)30(23-13-7-5-8-14-23)24-15-9-6-10-16-24/h11-12,17,20,23-24H,3-10,13-16,18-19,21H2,1-2H3
InChIKeyGWJSRLJCLYQCGN-UHFFFAOYSA-N
MW442.65 g/mol
LogP4.36
Rot. Bonds10

About N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide

N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide (PubChem CID 3136485) has the molecular formula C26H42N4O2 and a molecular weight of 442.65 g/mol. Its IUPAC name is N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide
PubChem CID3136485
Molecular FormulaC26H42N4O2
Molecular Weight442.65 g/mol
Exact Mass442.33
IUPAC NameN-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide
SMILESCCN(CC)CCN(CC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)c1cccnc1
InChIInChI=1S/C26H42N4O2/c1-3-28(4-2)18-19-29(26(32)22-12-11-17-27-20-22)21-25(31)30(23-13-7-5-8-14-23)24-15-9-6-10-16-24/h11-12,17,20,23-24H,3-10,13-16,18-19,21H2,1-2H3
InChIKeyGWJSRLJCLYQCGN-UHFFFAOYSA-N
XLogP4.36
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.65
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide (CID 3136485) is N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide is CCN(CC)CCN(CC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)c1cccnc1.
What is the InChIKey of N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is GWJSRLJCLYQCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4O2/c1-3-28(4-2)18-19-29(26(32)22-12-11-17-27-20-22)21-25(31)30(23-13-7-5-8-14-23)24-15-9-6-10-16-24/h11-12,17,20,23-24H,3-10,13-16,18-19,21H2,1-2H3.
What are the key properties of N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide?
N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 442.65 g/mol, XLogP of 4.36, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 3136485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).