3-amino-6-[3-[(5-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide

C20H17ClFN5O2 — CID 68651292

IUPAC3-amino-6-[3-[(5-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(C(=O)NCc3cc(Cl)ccc3F)c2)cnc1N
InChIInChI=1S/C20H17ClFN5O2/c1-24-20(29)17-18(23)25-10-16(27-17)11-3-2-4-12(7-11)19(28)26-9-13-8-14(21)5-6-15(13)22/h2-8,10H,9H2,1H3,(H2,23,25)(H,24,29)(H,26,28)
InChIKeyHMJXTHBPSAMDMZ-UHFFFAOYSA-N
MW413.84 g/mol
LogP2.81
Rot. Bonds5

About 3-amino-6-[3-[(5-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide

3-amino-6-[3-[(5-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide (PubChem CID 68651292) has the molecular formula C20H17ClFN5O2 and a molecular weight of 413.84 g/mol. Its IUPAC name is 3-amino-6-[3-[(5-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-[(5-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
PubChem CID68651292
Molecular FormulaC20H17ClFN5O2
Molecular Weight413.84 g/mol
Exact Mass413.11
IUPAC Name3-amino-6-[3-[(5-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(C(=O)NCc3cc(Cl)ccc3F)c2)cnc1N
InChIInChI=1S/C20H17ClFN5O2/c1-24-20(29)17-18(23)25-10-16(27-17)11-3-2-4-12(7-11)19(28)26-9-13-8-14(21)5-6-15(13)22/h2-8,10H,9H2,1H3,(H2,23,25)(H,24,29)(H,26,28)
InChIKeyHMJXTHBPSAMDMZ-UHFFFAOYSA-N
XLogP2.81
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.84
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651013
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-6-[3-[[2-(4-fluorophenyl)phenyl]methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651302
3-amino-N-methyl-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 68651018
3-amino-6-[3-[(4-hydroxyphenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 68651766
3-amino-N-methyl-6-[5-[(2-phenylphenyl)methylcarbamoyl]-3-pyridinyl]pyrazine-2-carboxamide
CID 68651173
3-amino-6-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651465
3-amino-6-[3-[(2,4-dichlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68650258
3-amino-N-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide
CID 10331970
3-amino-N-methyl-6-[3-[[(4-propylbenzoyl)amino]methyl]phenyl]pyrazine-2-carboxamide
CID 68820915
3-amino-6-(3-carbamimidoylphenyl)-N-methylpyrazine-2-carboxamide
CID 68650453

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-[(5-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-[(5-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide (CID 68651292) is 3-amino-6-[3-[(5-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-[(5-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-[(5-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide is CNC(=O)c1nc(-c2cccc(C(=O)NCc3cc(Cl)ccc3F)c2)cnc1N.
What is the InChIKey of 3-amino-6-[3-[(5-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is HMJXTHBPSAMDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN5O2/c1-24-20(29)17-18(23)25-10-16(27-17)11-3-2-4-12(7-11)19(28)26-9-13-8-14(21)5-6-15(13)22/h2-8,10H,9H2,1H3,(H2,23,25)(H,24,29)(H,26,28).
What are the key properties of 3-amino-6-[3-[(5-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide?
3-amino-6-[3-[(5-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 413.84 g/mol, XLogP of 2.81, 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-[(5-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 68651292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).