N-[[6-amino-5-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide

C22H25N5O4S — CID 54443204

IUPACN-[[6-amino-5-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide
SMILESC=C1C(CNC=O)=C(n2c(C)ccc(NS(=O)(=O)Cc3ccccc3)c2=O)C(N)=NC1C
InChIInChI=1S/C22H25N5O4S/c1-14-9-10-19(26-32(30,31)12-17-7-5-4-6-8-17)22(29)27(14)20-18(11-24-13-28)15(2)16(3)25-21(20)23/h4-10,13,16,26H,2,11-12H2,1,3H3,(H2,23,25)(H,24,28)
InChIKeyWPPHDUWHFNMBTP-UHFFFAOYSA-N
MW455.54 g/mol
LogP1.37
Rot. Bonds8

About N-[[6-amino-5-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide

N-[[6-amino-5-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide (PubChem CID 54443204) has the molecular formula C22H25N5O4S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[[6-amino-5-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[6-amino-5-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide
PubChem CID54443204
Molecular FormulaC22H25N5O4S
Molecular Weight455.54 g/mol
Exact Mass455.16
IUPAC NameN-[[6-amino-5-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide
SMILESC=C1C(CNC=O)=C(n2c(C)ccc(NS(=O)(=O)Cc3ccccc3)c2=O)C(N)=NC1C
InChIInChI=1S/C22H25N5O4S/c1-14-9-10-19(26-32(30,31)12-17-7-5-4-6-8-17)22(29)27(14)20-18(11-24-13-28)15(2)16(3)25-21(20)23/h4-10,13,16,26H,2,11-12H2,1,3H3,(H2,23,25)(H,24,28)
InChIKeyWPPHDUWHFNMBTP-UHFFFAOYSA-N
XLogP1.37
TPSA135.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[6-amino-5-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide?
The IUPAC name of N-[[6-amino-5-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide (CID 54443204) is N-[[6-amino-5-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide.
What is the SMILES notation for N-[[6-amino-5-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide?
The canonical SMILES for N-[[6-amino-5-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide is C=C1C(CNC=O)=C(n2c(C)ccc(NS(=O)(=O)Cc3ccccc3)c2=O)C(N)=NC1C.
What is the InChIKey of N-[[6-amino-5-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide?
The InChIKey is WPPHDUWHFNMBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S/c1-14-9-10-19(26-32(30,31)12-17-7-5-4-6-8-17)22(29)27(14)20-18(11-24-13-28)15(2)16(3)25-21(20)23/h4-10,13,16,26H,2,11-12H2,1,3H3,(H2,23,25)(H,24,28).
What are the key properties of N-[[6-amino-5-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide?
N-[[6-amino-5-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide has a molecular weight of 455.54 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-amino-5-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide is sourced from PubChem (CID 54443204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).