6-methyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]pyridine-3-carboxamide

C24H30N4O3 — CID 110202252

IUPAC6-methyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCCCCCNC(=O)CC2c2ccccc2)cn1
InChIInChI=1S/C24H30N4O3/c1-18-11-12-20(16-26-18)24(31)27-17-23(30)28-14-8-3-2-7-13-25-22(29)15-21(28)19-9-5-4-6-10-19/h4-6,9-12,16,21H,2-3,7-8,13-15,17H2,1H3,(H,25,29)(H,27,31)
InChIKeyGGIUGBYKBCKYBQ-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.77
Rot. Bonds4

About 6-methyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]pyridine-3-carboxamide

6-methyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]pyridine-3-carboxamide (PubChem CID 110202252) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 6-methyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]pyridine-3-carboxamide
PubChem CID110202252
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name6-methyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCCCCCNC(=O)CC2c2ccccc2)cn1
InChIInChI=1S/C24H30N4O3/c1-18-11-12-20(16-26-18)24(31)27-17-23(30)28-14-8-3-2-7-13-25-22(29)15-21(28)19-9-5-4-6-10-19/h4-6,9-12,16,21H,2-3,7-8,13-15,17H2,1H3,(H,25,29)(H,27,31)
InChIKeyGGIUGBYKBCKYBQ-UHFFFAOYSA-N
XLogP2.77
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]pyridine-3-carboxamide (CID 110202252) is 6-methyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCC(=O)N2CCCCCCNC(=O)CC2c2ccccc2)cn1.
What is the InChIKey of 6-methyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is GGIUGBYKBCKYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-18-11-12-20(16-26-18)24(31)27-17-23(30)28-14-8-3-2-7-13-25-22(29)15-21(28)19-9-5-4-6-10-19/h4-6,9-12,16,21H,2-3,7-8,13-15,17H2,1H3,(H,25,29)(H,27,31).
What are the key properties of 6-methyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]pyridine-3-carboxamide?
6-methyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 110202252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).