3-amino-6-[3-[[2-(4-fluorophenyl)phenyl]methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide

C26H22FN5O2 — CID 68651302

IUPAC3-amino-6-[3-[[2-(4-fluorophenyl)phenyl]methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(C(=O)NCc3ccccc3-c3ccc(F)cc3)c2)cnc1N
InChIInChI=1S/C26H22FN5O2/c1-29-26(34)23-24(28)30-15-22(32-23)17-6-4-7-18(13-17)25(33)31-14-19-5-2-3-8-21(19)16-9-11-20(27)12-10-16/h2-13,15H,14H2,1H3,(H2,28,30)(H,29,34)(H,31,33)
InChIKeyCPMCMVDJZDNYRL-UHFFFAOYSA-N
MW455.49 g/mol
LogP3.82
Rot. Bonds6

About 3-amino-6-[3-[[2-(4-fluorophenyl)phenyl]methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide

3-amino-6-[3-[[2-(4-fluorophenyl)phenyl]methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide (PubChem CID 68651302) has the molecular formula C26H22FN5O2 and a molecular weight of 455.49 g/mol. Its IUPAC name is 3-amino-6-[3-[[2-(4-fluorophenyl)phenyl]methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-[[2-(4-fluorophenyl)phenyl]methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
PubChem CID68651302
Molecular FormulaC26H22FN5O2
Molecular Weight455.49 g/mol
Exact Mass455.18
IUPAC Name3-amino-6-[3-[[2-(4-fluorophenyl)phenyl]methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(C(=O)NCc3ccccc3-c3ccc(F)cc3)c2)cnc1N
InChIInChI=1S/C26H22FN5O2/c1-29-26(34)23-24(28)30-15-22(32-23)17-6-4-7-18(13-17)25(33)31-14-19-5-2-3-8-21(19)16-9-11-20(27)12-10-16/h2-13,15H,14H2,1H3,(H2,28,30)(H,29,34)(H,31,33)
InChIKeyCPMCMVDJZDNYRL-UHFFFAOYSA-N
XLogP3.82
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-methyl-6-[5-[(2-phenylphenyl)methylcarbamoyl]-3-pyridinyl]pyrazine-2-carboxamide
CID 68651173
3-amino-N-methyl-6-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 68652174
3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651013
3-amino-6-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651456
3-amino-6-[3-[(5-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651292
3-amino-N-methyl-6-[3-[[(2-phenylphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide
CID 68651279
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-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid
CID 68650248
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-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide
CID 68650974

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-[[2-(4-fluorophenyl)phenyl]methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-[[2-(4-fluorophenyl)phenyl]methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide (CID 68651302) is 3-amino-6-[3-[[2-(4-fluorophenyl)phenyl]methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-[[2-(4-fluorophenyl)phenyl]methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-[[2-(4-fluorophenyl)phenyl]methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide is CNC(=O)c1nc(-c2cccc(C(=O)NCc3ccccc3-c3ccc(F)cc3)c2)cnc1N.
What is the InChIKey of 3-amino-6-[3-[[2-(4-fluorophenyl)phenyl]methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is CPMCMVDJZDNYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O2/c1-29-26(34)23-24(28)30-15-22(32-23)17-6-4-7-18(13-17)25(33)31-14-19-5-2-3-8-21(19)16-9-11-20(27)12-10-16/h2-13,15H,14H2,1H3,(H2,28,30)(H,29,34)(H,31,33).
What are the key properties of 3-amino-6-[3-[[2-(4-fluorophenyl)phenyl]methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide?
3-amino-6-[3-[[2-(4-fluorophenyl)phenyl]methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 3.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-[[2-(4-fluorophenyl)phenyl]methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 68651302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).