N-(3-methylbutyl)-5-(4-phenoxyanilino)pyrazine-2-carboxamide

C22H24N4O2 — CID 109287846

IUPACN-(3-methylbutyl)-5-(4-phenoxyanilino)pyrazine-2-carboxamide
SMILESCC(C)CCNC(=O)c1cnc(Nc2ccc(Oc3ccccc3)cc2)cn1
InChIInChI=1S/C22H24N4O2/c1-16(2)12-13-23-22(27)20-14-25-21(15-24-20)26-17-8-10-19(11-9-17)28-18-6-4-3-5-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyAYDWONPQYXAHDG-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.79
Rot. Bonds8

About N-(3-methylbutyl)-5-(4-phenoxyanilino)pyrazine-2-carboxamide

N-(3-methylbutyl)-5-(4-phenoxyanilino)pyrazine-2-carboxamide (PubChem CID 109287846) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(3-methylbutyl)-5-(4-phenoxyanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-5-(4-phenoxyanilino)pyrazine-2-carboxamide
PubChem CID109287846
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(3-methylbutyl)-5-(4-phenoxyanilino)pyrazine-2-carboxamide
SMILESCC(C)CCNC(=O)c1cnc(Nc2ccc(Oc3ccccc3)cc2)cn1
InChIInChI=1S/C22H24N4O2/c1-16(2)12-13-23-22(27)20-14-25-21(15-24-20)26-17-8-10-19(11-9-17)28-18-6-4-3-5-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyAYDWONPQYXAHDG-UHFFFAOYSA-N
XLogP4.79
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-methylbutyl)-5-(4-phenoxyanilino)pyrazine-2-carboxamide 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

methyl 4-[[5-(3-methylbutylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109287835
5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109287829
5-anilino-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277171
5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284888
5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide
CID 109289463
N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109277841
N-(2-methylpropyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109272832
N-[2-(3-methoxyphenyl)ethyl]-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109284747
5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195545
5-anilino-N-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284601
5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282451
5-(4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284281

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-5-(4-phenoxyanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-methylbutyl)-5-(4-phenoxyanilino)pyrazine-2-carboxamide (CID 109287846) is N-(3-methylbutyl)-5-(4-phenoxyanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-5-(4-phenoxyanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-5-(4-phenoxyanilino)pyrazine-2-carboxamide is CC(C)CCNC(=O)c1cnc(Nc2ccc(Oc3ccccc3)cc2)cn1.
What is the InChIKey of N-(3-methylbutyl)-5-(4-phenoxyanilino)pyrazine-2-carboxamide?
The InChIKey is AYDWONPQYXAHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16(2)12-13-23-22(27)20-14-25-21(15-24-20)26-17-8-10-19(11-9-17)28-18-6-4-3-5-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,23,27)(H,25,26).
What are the key properties of N-(3-methylbutyl)-5-(4-phenoxyanilino)pyrazine-2-carboxamide?
N-(3-methylbutyl)-5-(4-phenoxyanilino)pyrazine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-5-(4-phenoxyanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109287846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).