3-amino-N-[4-[[ethyl(methoxy)phosphanyl]methylsulfanyl]phenyl]-6-(4-methylphenyl)pyrazine-2-carboxamide;ethane

C24H31N4O2PS — CID 156817126

IUPAC3-amino-N-[4-[[ethyl(methoxy)phosphanyl]methylsulfanyl]phenyl]-6-(4-methylphenyl)pyrazine-2-carboxamide;ethane
SMILESCC.CCP(CSc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cc1)OC
InChIInChI=1S/C22H25N4O2PS.C2H6/c1-4-29(28-3)14-30-18-11-9-17(10-12-18)25-22(27)20-21(23)24-13-19(26-20)16-7-5-15(2)6-8-16;1-2/h5-13H,4,14H2,1-3H3,(H2,23,24)(H,25,27);1-2H3
InChIKeyPBNADZQUJQVUDC-UHFFFAOYSA-N
MW470.58 g/mol
LogP6.43
Rot. Bonds8

About 3-amino-N-[4-[[ethyl(methoxy)phosphanyl]methylsulfanyl]phenyl]-6-(4-methylphenyl)pyrazine-2-carboxamide;ethane

3-amino-N-[4-[[ethyl(methoxy)phosphanyl]methylsulfanyl]phenyl]-6-(4-methylphenyl)pyrazine-2-carboxamide;ethane (PubChem CID 156817126) has the molecular formula C24H31N4O2PS and a molecular weight of 470.58 g/mol. Its IUPAC name is 3-amino-N-[4-[[ethyl(methoxy)phosphanyl]methylsulfanyl]phenyl]-6-(4-methylphenyl)pyrazine-2-carboxamide;ethane.

Molecular Properties

Compound Name3-amino-N-[4-[[ethyl(methoxy)phosphanyl]methylsulfanyl]phenyl]-6-(4-methylphenyl)pyrazine-2-carboxamide;ethane
PubChem CID156817126
Molecular FormulaC24H31N4O2PS
Molecular Weight470.58 g/mol
Exact Mass470.19
IUPAC Name3-amino-N-[4-[[ethyl(methoxy)phosphanyl]methylsulfanyl]phenyl]-6-(4-methylphenyl)pyrazine-2-carboxamide;ethane
SMILESCC.CCP(CSc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cc1)OC
InChIInChI=1S/C22H25N4O2PS.C2H6/c1-4-29(28-3)14-30-18-11-9-17(10-12-18)25-22(27)20-21(23)24-13-19(26-20)16-7-5-15(2)6-8-16;1-2/h5-13H,4,14H2,1-3H3,(H2,23,24)(H,25,27);1-2H3
InChIKeyPBNADZQUJQVUDC-UHFFFAOYSA-N
XLogP6.43
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.58
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-amino-N-[4-[[ethyl(methoxy)phosphanyl]methylsulfanyl]phenyl]-6-(4-methylphenyl)pyrazine-2-carboxamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-6-[4-[2-[4-[5-amino-6-[[4-[[ethyl(methoxy)phosphanyl]methylsulfanyl]phenyl]carbamoyl]pyrazin-2-yl]phenyl]ethyl]phenyl]pyrazine-2-carboxylic acid
CID 166696518
ethyl 2-[4-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]phenyl]sulfanylacetate
CID 156817291
3-amino-N-[4-(2-hydroxyprop-2-enylsulfonyl)phenyl]-6-(4-methylphenyl)pyrazine-2-carboxamide
CID 159494311
tert-butyl 4-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]-2-fluorobenzoate
CID 156817166
3-amino-6-[4-(dipropylamino)phenyl]-N-phenylpyrazine-2-carboxamide
CID 163610371
6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
CID 59472127
3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471893
[4-[[3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carbonyl]amino]phenyl]sulfonylmethylphosphonic acid
CID 166681364
3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 52937456
3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937360
3-amino-N-[2-[2-[4-[5-amino-6-[(6-sulfamoyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]ethylsulfonyl]pyrimidin-5-yl]-6-(4-methylphenyl)pyrazine-2-carboxamide
CID 166696548
N-[4-[[ethyl(methoxy)phosphoryl]methylsulfonyl]phenyl]-3-(methylamino)-6-(4-methylphenyl)pyrazine-2-carboxamide
CID 159066213

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[[ethyl(methoxy)phosphanyl]methylsulfanyl]phenyl]-6-(4-methylphenyl)pyrazine-2-carboxamide;ethane?
The IUPAC name of 3-amino-N-[4-[[ethyl(methoxy)phosphanyl]methylsulfanyl]phenyl]-6-(4-methylphenyl)pyrazine-2-carboxamide;ethane (CID 156817126) is 3-amino-N-[4-[[ethyl(methoxy)phosphanyl]methylsulfanyl]phenyl]-6-(4-methylphenyl)pyrazine-2-carboxamide;ethane.
What is the SMILES notation for 3-amino-N-[4-[[ethyl(methoxy)phosphanyl]methylsulfanyl]phenyl]-6-(4-methylphenyl)pyrazine-2-carboxamide;ethane?
The canonical SMILES for 3-amino-N-[4-[[ethyl(methoxy)phosphanyl]methylsulfanyl]phenyl]-6-(4-methylphenyl)pyrazine-2-carboxamide;ethane is CC.CCP(CSc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cc1)OC.
What is the InChIKey of 3-amino-N-[4-[[ethyl(methoxy)phosphanyl]methylsulfanyl]phenyl]-6-(4-methylphenyl)pyrazine-2-carboxamide;ethane?
The InChIKey is PBNADZQUJQVUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N4O2PS.C2H6/c1-4-29(28-3)14-30-18-11-9-17(10-12-18)25-22(27)20-21(23)24-13-19(26-20)16-7-5-15(2)6-8-16;1-2/h5-13H,4,14H2,1-3H3,(H2,23,24)(H,25,27);1-2H3.
What are the key properties of 3-amino-N-[4-[[ethyl(methoxy)phosphanyl]methylsulfanyl]phenyl]-6-(4-methylphenyl)pyrazine-2-carboxamide;ethane?
3-amino-N-[4-[[ethyl(methoxy)phosphanyl]methylsulfanyl]phenyl]-6-(4-methylphenyl)pyrazine-2-carboxamide;ethane has a molecular weight of 470.58 g/mol, XLogP of 6.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[[ethyl(methoxy)phosphanyl]methylsulfanyl]phenyl]-6-(4-methylphenyl)pyrazine-2-carboxamide;ethane is sourced from PubChem (CID 156817126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).