3-amino-6-[3-(benzylcarbamoyl)-4-chlorophenyl]-N-methylpyrazine-2-carboxamide

C20H18ClN5O2 — CID 68651264

IUPAC3-amino-6-[3-(benzylcarbamoyl)-4-chlorophenyl]-N-methylpyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2ccc(Cl)c(C(=O)NCc3ccccc3)c2)cnc1N
InChIInChI=1S/C20H18ClN5O2/c1-23-20(28)17-18(22)24-11-16(26-17)13-7-8-15(21)14(9-13)19(27)25-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H2,22,24)(H,23,28)(H,25,27)
InChIKeyMOLIEAAHAQBRGX-UHFFFAOYSA-N
MW395.85 g/mol
LogP2.67
Rot. Bonds5

About 3-amino-6-[3-(benzylcarbamoyl)-4-chlorophenyl]-N-methylpyrazine-2-carboxamide

3-amino-6-[3-(benzylcarbamoyl)-4-chlorophenyl]-N-methylpyrazine-2-carboxamide (PubChem CID 68651264) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is 3-amino-6-[3-(benzylcarbamoyl)-4-chlorophenyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-(benzylcarbamoyl)-4-chlorophenyl]-N-methylpyrazine-2-carboxamide
PubChem CID68651264
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC Name3-amino-6-[3-(benzylcarbamoyl)-4-chlorophenyl]-N-methylpyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2ccc(Cl)c(C(=O)NCc3ccccc3)c2)cnc1N
InChIInChI=1S/C20H18ClN5O2/c1-23-20(28)17-18(22)24-11-16(26-17)13-7-8-15(21)14(9-13)19(27)25-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H2,22,24)(H,23,28)(H,25,27)
InChIKeyMOLIEAAHAQBRGX-UHFFFAOYSA-N
XLogP2.67
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid
CID 68650248
3-amino-6-[3-[(4-hydroxyphenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 68651766
3-amino-N-methyl-6-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 68652174
3-amino-6-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651456
3-amino-N-methyl-6-[3-[[(4-propylbenzoyl)amino]methyl]phenyl]pyrazine-2-carboxamide
CID 68820915
3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651013
3-amino-N-methyl-6-[3-[[(2-phenylphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide
CID 68651279
3-amino-6-[3-[(5-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651292
3-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide
CID 68650974
3-amino-N-methyl-6-[5-[(2-phenylphenyl)methylcarbamoyl]-3-pyridinyl]pyrazine-2-carboxamide
CID 68651173
3-amino-N-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide
CID 10331970
3-amino-N-methyl-6-[3-[[[(1S,2S)-2-phenylcyclopropyl]amino]methyl]phenyl]pyrazine-2-carboxamide
CID 68651575

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-(benzylcarbamoyl)-4-chlorophenyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-(benzylcarbamoyl)-4-chlorophenyl]-N-methylpyrazine-2-carboxamide (CID 68651264) is 3-amino-6-[3-(benzylcarbamoyl)-4-chlorophenyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-(benzylcarbamoyl)-4-chlorophenyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-(benzylcarbamoyl)-4-chlorophenyl]-N-methylpyrazine-2-carboxamide is CNC(=O)c1nc(-c2ccc(Cl)c(C(=O)NCc3ccccc3)c2)cnc1N.
What is the InChIKey of 3-amino-6-[3-(benzylcarbamoyl)-4-chlorophenyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is MOLIEAAHAQBRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c1-23-20(28)17-18(22)24-11-16(26-17)13-7-8-15(21)14(9-13)19(27)25-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H2,22,24)(H,23,28)(H,25,27).
What are the key properties of 3-amino-6-[3-(benzylcarbamoyl)-4-chlorophenyl]-N-methylpyrazine-2-carboxamide?
3-amino-6-[3-(benzylcarbamoyl)-4-chlorophenyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-(benzylcarbamoyl)-4-chlorophenyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 68651264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).