3-amino-6-[3-[[(3R)-3-benzylpyrrolidin-3-yl]carbamoyl]phenyl]-N-methylpyrazine-2-carboxamide

C24H26N6O2 — CID 68975342

IUPAC3-amino-6-[3-[[(3R)-3-benzylpyrrolidin-3-yl]carbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(C(=O)N[C@]3(Cc4ccccc4)CCNC3)c2)cnc1N
InChIInChI=1S/C24H26N6O2/c1-26-23(32)20-21(25)28-14-19(29-20)17-8-5-9-18(12-17)22(31)30-24(10-11-27-15-24)13-16-6-3-2-4-7-16/h2-9,12,14,27H,10-11,13,15H2,1H3,(H2,25,28)(H,26,32)(H,30,31)/t24-/m0/s1
InChIKeyVBPXYVVNHZTDRH-DEOSSOPVSA-N
MW430.51 g/mol
LogP1.79
Rot. Bonds6

About 3-amino-6-[3-[[(3R)-3-benzylpyrrolidin-3-yl]carbamoyl]phenyl]-N-methylpyrazine-2-carboxamide

3-amino-6-[3-[[(3R)-3-benzylpyrrolidin-3-yl]carbamoyl]phenyl]-N-methylpyrazine-2-carboxamide (PubChem CID 68975342) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-amino-6-[3-[[(3R)-3-benzylpyrrolidin-3-yl]carbamoyl]phenyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-[[(3R)-3-benzylpyrrolidin-3-yl]carbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
PubChem CID68975342
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name3-amino-6-[3-[[(3R)-3-benzylpyrrolidin-3-yl]carbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(C(=O)N[C@]3(Cc4ccccc4)CCNC3)c2)cnc1N
InChIInChI=1S/C24H26N6O2/c1-26-23(32)20-21(25)28-14-19(29-20)17-8-5-9-18(12-17)22(31)30-24(10-11-27-15-24)13-16-6-3-2-4-7-16/h2-9,12,14,27H,10-11,13,15H2,1H3,(H2,25,28)(H,26,32)(H,30,31)/t24-/m0/s1
InChIKeyVBPXYVVNHZTDRH-DEOSSOPVSA-N
XLogP1.79
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-methyl-6-[3-[[[(1S,2S)-2-phenylcyclopropyl]amino]methyl]phenyl]pyrazine-2-carboxamide
CID 68651575
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-methylphenyl)pyrazine-2-carboxamide
CID 10331970
3-amino-6-(3-carbamimidoylphenyl)-N-methylpyrazine-2-carboxamide
CID 68650453
3-amino-N-methyl-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 68651018
3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid
CID 68650248
3-amino-N-methyl-6-[3-[[(2-phenylphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide
CID 68651279
3-amino-6-[3-[(4-hydroxyphenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 68651766
3-amino-N-[2-[[3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]cyclohexyl]-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 68650751
3-amino-6-[3-[[2-(4-fluorophenyl)phenyl]methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651302
3-amino-N-methyl-6-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]pyrazine-2-carboxamide
CID 68651908

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-[[(3R)-3-benzylpyrrolidin-3-yl]carbamoyl]phenyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-[[(3R)-3-benzylpyrrolidin-3-yl]carbamoyl]phenyl]-N-methylpyrazine-2-carboxamide (CID 68975342) is 3-amino-6-[3-[[(3R)-3-benzylpyrrolidin-3-yl]carbamoyl]phenyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-[[(3R)-3-benzylpyrrolidin-3-yl]carbamoyl]phenyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-[[(3R)-3-benzylpyrrolidin-3-yl]carbamoyl]phenyl]-N-methylpyrazine-2-carboxamide is CNC(=O)c1nc(-c2cccc(C(=O)N[C@]3(Cc4ccccc4)CCNC3)c2)cnc1N.
What is the InChIKey of 3-amino-6-[3-[[(3R)-3-benzylpyrrolidin-3-yl]carbamoyl]phenyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is VBPXYVVNHZTDRH-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-26-23(32)20-21(25)28-14-19(29-20)17-8-5-9-18(12-17)22(31)30-24(10-11-27-15-24)13-16-6-3-2-4-7-16/h2-9,12,14,27H,10-11,13,15H2,1H3,(H2,25,28)(H,26,32)(H,30,31)/t24-/m0/s1.
What are the key properties of 3-amino-6-[3-[[(3R)-3-benzylpyrrolidin-3-yl]carbamoyl]phenyl]-N-methylpyrazine-2-carboxamide?
3-amino-6-[3-[[(3R)-3-benzylpyrrolidin-3-yl]carbamoyl]phenyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 1.79, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-[[(3R)-3-benzylpyrrolidin-3-yl]carbamoyl]phenyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 68975342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).