N-methyl-4-oxo-3-phenylmethoxy-1-(2-phenylpent-4-en-2-ylamino)pyridine-2-carboxamide

C25H27N3O3 — CID 162689120

IUPACN-methyl-4-oxo-3-phenylmethoxy-1-(2-phenylpent-4-en-2-ylamino)pyridine-2-carboxamide
SMILESC=CCC(C)(Nn1ccc(=O)c(OCc2ccccc2)c1C(=O)NC)c1ccccc1
InChIInChI=1S/C25H27N3O3/c1-4-16-25(2,20-13-9-6-10-14-20)27-28-17-15-21(29)23(22(28)24(30)26-3)31-18-19-11-7-5-8-12-19/h4-15,17,27H,1,16,18H2,2-3H3,(H,26,30)
InChIKeyXGSFKWOMWCZHLS-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.82
Rot. Bonds9

About N-methyl-4-oxo-3-phenylmethoxy-1-(2-phenylpent-4-en-2-ylamino)pyridine-2-carboxamide

N-methyl-4-oxo-3-phenylmethoxy-1-(2-phenylpent-4-en-2-ylamino)pyridine-2-carboxamide (PubChem CID 162689120) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-methyl-4-oxo-3-phenylmethoxy-1-(2-phenylpent-4-en-2-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-oxo-3-phenylmethoxy-1-(2-phenylpent-4-en-2-ylamino)pyridine-2-carboxamide
PubChem CID162689120
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-methyl-4-oxo-3-phenylmethoxy-1-(2-phenylpent-4-en-2-ylamino)pyridine-2-carboxamide
SMILESC=CCC(C)(Nn1ccc(=O)c(OCc2ccccc2)c1C(=O)NC)c1ccccc1
InChIInChI=1S/C25H27N3O3/c1-4-16-25(2,20-13-9-6-10-14-20)27-28-17-15-21(29)23(22(28)24(30)26-3)31-18-19-11-7-5-8-12-19/h4-15,17,27H,1,16,18H2,2-3H3,(H,26,30)
InChIKeyXGSFKWOMWCZHLS-UHFFFAOYSA-N
XLogP3.82
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-3-phenylmethoxy-1-(2-phenylpent-4-en-2-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-oxo-3-phenylmethoxy-1-(2-phenylpent-4-en-2-ylamino)pyridine-2-carboxamide (CID 162689120) is N-methyl-4-oxo-3-phenylmethoxy-1-(2-phenylpent-4-en-2-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-oxo-3-phenylmethoxy-1-(2-phenylpent-4-en-2-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-oxo-3-phenylmethoxy-1-(2-phenylpent-4-en-2-ylamino)pyridine-2-carboxamide is C=CCC(C)(Nn1ccc(=O)c(OCc2ccccc2)c1C(=O)NC)c1ccccc1.
What is the InChIKey of N-methyl-4-oxo-3-phenylmethoxy-1-(2-phenylpent-4-en-2-ylamino)pyridine-2-carboxamide?
The InChIKey is XGSFKWOMWCZHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-4-16-25(2,20-13-9-6-10-14-20)27-28-17-15-21(29)23(22(28)24(30)26-3)31-18-19-11-7-5-8-12-19/h4-15,17,27H,1,16,18H2,2-3H3,(H,26,30).
What are the key properties of N-methyl-4-oxo-3-phenylmethoxy-1-(2-phenylpent-4-en-2-ylamino)pyridine-2-carboxamide?
N-methyl-4-oxo-3-phenylmethoxy-1-(2-phenylpent-4-en-2-ylamino)pyridine-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-3-phenylmethoxy-1-(2-phenylpent-4-en-2-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 162689120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).