N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

C26H29N3O4 — CID 3206032

IUPACN-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESCOc1cccc(C(C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2ccccn2)c1
InChIInChI=1S/C26H29N3O4/c1-32-21-12-7-9-19(17-21)24(25(30)28-20-10-3-2-4-11-20)29(18-22-13-8-16-33-22)26(31)23-14-5-6-15-27-23/h5-9,12-17,20,24H,2-4,10-11,18H2,1H3,(H,28,30)
InChIKeyAEMCHXYZDAVXLG-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.52
Rot. Bonds8

About N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 3206032) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID3206032
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESCOc1cccc(C(C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2ccccn2)c1
InChIInChI=1S/C26H29N3O4/c1-32-21-12-7-9-19(17-21)24(25(30)28-20-10-3-2-4-11-20)29(18-22-13-8-16-33-22)26(31)23-14-5-6-15-27-23/h5-9,12-17,20,24H,2-4,10-11,18H2,1H3,(H,28,30)
InChIKeyAEMCHXYZDAVXLG-UHFFFAOYSA-N
XLogP4.52
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (CID 3206032) is N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is COc1cccc(C(C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2ccccn2)c1.
What is the InChIKey of N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is AEMCHXYZDAVXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-32-21-12-7-9-19(17-21)24(25(30)28-20-10-3-2-4-11-20)29(18-22-13-8-16-33-22)26(31)23-14-5-6-15-27-23/h5-9,12-17,20,24H,2-4,10-11,18H2,1H3,(H,28,30).
What are the key properties of N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 3206032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).