1-butan-2-yl-3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(2-methylprop-2-enyl)-4-oxopyridine-3,5-dicarboxamide

C22H29N3O4 — CID 45243150

IUPAC1-butan-2-yl-3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(2-methylprop-2-enyl)-4-oxopyridine-3,5-dicarboxamide
SMILESC=C(C)CN(CC)C(=O)c1cn(C(C)CC)cc(C(=O)NCc2ccco2)c1=O
InChIInChI=1S/C22H29N3O4/c1-6-16(5)25-13-18(21(27)23-11-17-9-8-10-29-17)20(26)19(14-25)22(28)24(7-2)12-15(3)4/h8-10,13-14,16H,3,6-7,11-12H2,1-2,4-5H3,(H,23,27)
InChIKeyXEGROBBDNLUGEO-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.38
Rot. Bonds9

About 1-butan-2-yl-3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(2-methylprop-2-enyl)-4-oxopyridine-3,5-dicarboxamide

1-butan-2-yl-3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(2-methylprop-2-enyl)-4-oxopyridine-3,5-dicarboxamide (PubChem CID 45243150) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-butan-2-yl-3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(2-methylprop-2-enyl)-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-butan-2-yl-3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(2-methylprop-2-enyl)-4-oxopyridine-3,5-dicarboxamide
PubChem CID45243150
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name1-butan-2-yl-3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(2-methylprop-2-enyl)-4-oxopyridine-3,5-dicarboxamide
SMILESC=C(C)CN(CC)C(=O)c1cn(C(C)CC)cc(C(=O)NCc2ccco2)c1=O
InChIInChI=1S/C22H29N3O4/c1-6-16(5)25-13-18(21(27)23-11-17-9-8-10-29-17)20(26)19(14-25)22(28)24(7-2)12-15(3)4/h8-10,13-14,16H,3,6-7,11-12H2,1-2,4-5H3,(H,23,27)
InChIKeyXEGROBBDNLUGEO-UHFFFAOYSA-N
XLogP3.38
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-3-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-N-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide
CID 45242955
1-butan-2-yl-N-(furan-2-ylmethyl)-4-oxo-5-(4-phenylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 45238070
5-amino-N-(furan-2-ylmethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide
CID 82212516
N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961366
N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 845080
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
1-[(E)-2,3-dimethylbut-1-enyl]-3-(furan-2-ylmethyl)urea
CID 108914673
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide
CID 106685319
N-(furan-2-ylmethyl)acetamide
CID 2394850
5-N-(furan-2-ylmethyl)-3-N-methyl-1-(2-methylpropyl)-4-oxo-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide
CID 56855692
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
2-bromo-N-(furan-2-ylmethyl)butanamide
CID 25219706

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(2-methylprop-2-enyl)-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 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) is 1-butan-2-yl-3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(2-methylprop-2-enyl)-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-butan-2-yl-3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(2-methylprop-2-enyl)-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-butan-2-yl-3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(2-methylprop-2-enyl)-4-oxopyridine-3,5-dicarboxamide is C=C(C)CN(CC)C(=O)c1cn(C(C)CC)cc(C(=O)NCc2ccco2)c1=O.
What is the InChIKey of 1-butan-2-yl-3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(2-methylprop-2-enyl)-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is XEGROBBDNLUGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-6-16(5)25-13-18(21(27)23-11-17-9-8-10-29-17)20(26)19(14-25)22(28)24(7-2)12-15(3)4/h8-10,13-14,16H,3,6-7,11-12H2,1-2,4-5H3,(H,23,27).
What are the key properties of 1-butan-2-yl-3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(2-methylprop-2-enyl)-4-oxopyridine-3,5-dicarboxamide?
1-butan-2-yl-3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(2-methylprop-2-enyl)-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 399.49 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(2-methylprop-2-enyl)-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 45243150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).