5-N-(furan-2-ylmethyl)-3-N-methyl-1-(2-methylpropyl)-4-oxo-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide

C27H28N4O4 — CID 56855692

IUPAC5-N-(furan-2-ylmethyl)-3-N-methyl-1-(2-methylpropyl)-4-oxo-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCC(C)Cn1cc(C(=O)NCc2ccco2)c(=O)c(C(=O)N(C)Cc2cccc3ncccc23)c1
InChIInChI=1S/C27H28N4O4/c1-18(2)14-31-16-22(26(33)29-13-20-8-6-12-35-20)25(32)23(17-31)27(34)30(3)15-19-7-4-10-24-21(19)9-5-11-28-24/h4-12,16-18H,13-15H2,1-3H3,(H,29,33)
InChIKeyZKWNONUBQXYHSM-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.85
Rot. Bonds8

About 5-N-(furan-2-ylmethyl)-3-N-methyl-1-(2-methylpropyl)-4-oxo-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide

5-N-(furan-2-ylmethyl)-3-N-methyl-1-(2-methylpropyl)-4-oxo-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 56855692) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is 5-N-(furan-2-ylmethyl)-3-N-methyl-1-(2-methylpropyl)-4-oxo-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(furan-2-ylmethyl)-3-N-methyl-1-(2-methylpropyl)-4-oxo-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID56855692
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC Name5-N-(furan-2-ylmethyl)-3-N-methyl-1-(2-methylpropyl)-4-oxo-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCC(C)Cn1cc(C(=O)NCc2ccco2)c(=O)c(C(=O)N(C)Cc2cccc3ncccc23)c1
InChIInChI=1S/C27H28N4O4/c1-18(2)14-31-16-22(26(33)29-13-20-8-6-12-35-20)25(32)23(17-31)27(34)30(3)15-19-7-4-10-24-21(19)9-5-11-28-24/h4-12,16-18H,13-15H2,1-3H3,(H,29,33)
InChIKeyZKWNONUBQXYHSM-UHFFFAOYSA-N
XLogP3.85
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-methyl-5-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide
CID 28786533
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-ylmethyl)-1-methylurea
CID 53184960
N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide
CID 70751619
propan-2-yl N-methyl-N-(quinolin-5-ylmethyl)carbamate
CID 135388422
5-amino-N-(furan-2-ylmethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide
CID 82212516
3-N-[(1S)-1-(furan-2-yl)ethyl]-1-(2-methylpropyl)-4-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 26324517
N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 823822
8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3217744
N-methyl-2-oxo-6-phenyl-N-(quinolin-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 56908393
1-butan-2-yl-3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(2-methylprop-2-enyl)-4-oxopyridine-3,5-dicarboxamide
CID 45243150
1-butan-2-yl-3-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-N-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide
CID 45242955
2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 18166628

Frequently Asked Questions

What is the IUPAC name of 5-N-(furan-2-ylmethyl)-3-N-methyl-1-(2-methylpropyl)-4-oxo-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(furan-2-ylmethyl)-3-N-methyl-1-(2-methylpropyl)-4-oxo-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide (CID 56855692) is 5-N-(furan-2-ylmethyl)-3-N-methyl-1-(2-methylpropyl)-4-oxo-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(furan-2-ylmethyl)-3-N-methyl-1-(2-methylpropyl)-4-oxo-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(furan-2-ylmethyl)-3-N-methyl-1-(2-methylpropyl)-4-oxo-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide is CC(C)Cn1cc(C(=O)NCc2ccco2)c(=O)c(C(=O)N(C)Cc2cccc3ncccc23)c1.
What is the InChIKey of 5-N-(furan-2-ylmethyl)-3-N-methyl-1-(2-methylpropyl)-4-oxo-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is ZKWNONUBQXYHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c1-18(2)14-31-16-22(26(33)29-13-20-8-6-12-35-20)25(32)23(17-31)27(34)30(3)15-19-7-4-10-24-21(19)9-5-11-28-24/h4-12,16-18H,13-15H2,1-3H3,(H,29,33).
What are the key properties of 5-N-(furan-2-ylmethyl)-3-N-methyl-1-(2-methylpropyl)-4-oxo-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide?
5-N-(furan-2-ylmethyl)-3-N-methyl-1-(2-methylpropyl)-4-oxo-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 472.55 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(furan-2-ylmethyl)-3-N-methyl-1-(2-methylpropyl)-4-oxo-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 56855692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).