3-amino-N-[[5-(methanesulfonamido)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide

C27H23N7O3S — CID 155003048

IUPAC3-amino-N-[[5-(methanesulfonamido)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(CNC(=O)c2nc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2N)nc1
InChIInChI=1S/C27H23N7O3S/c1-38(36,37)34-21-11-10-20(30-16-21)15-31-27(35)25-26(28)33-23(17-6-3-2-4-7-17)24(32-25)19-9-12-22-18(14-19)8-5-13-29-22/h2-14,16,34H,15H2,1H3,(H2,28,33)(H,31,35)
InChIKeyWKVBADVYIVHSJI-UHFFFAOYSA-N
MW525.59 g/mol
LogP3.64
Rot. Bonds7

About 3-amino-N-[[5-(methanesulfonamido)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-N-[[5-(methanesulfonamido)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 155003048) has the molecular formula C27H23N7O3S and a molecular weight of 525.59 g/mol. Its IUPAC name is 3-amino-N-[[5-(methanesulfonamido)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[5-(methanesulfonamido)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID155003048
Molecular FormulaC27H23N7O3S
Molecular Weight525.59 g/mol
Exact Mass525.16
IUPAC Name3-amino-N-[[5-(methanesulfonamido)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(CNC(=O)c2nc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2N)nc1
InChIInChI=1S/C27H23N7O3S/c1-38(36,37)34-21-11-10-20(30-16-21)15-31-27(35)25-26(28)33-23(17-6-3-2-4-7-17)24(32-25)19-9-12-22-18(14-19)8-5-13-29-22/h2-14,16,34H,15H2,1H3,(H2,28,33)(H,31,35)
InChIKeyWKVBADVYIVHSJI-UHFFFAOYSA-N
XLogP3.64
TPSA152.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.59
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604481
3-amino-N-(isoquinolin-3-ylmethyl)-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657882
3-amino-N-[(6-methyl-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604677
3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604613
3-amino-5-(1-methylpyrazol-3-yl)-N-[(5-methyl-6-pyridin-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658010
ethyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate
CID 137431698
3-amino-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604777
3-amino-N-[2-(3-methoxy-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604804
3-amino-N-[[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658025
3-amino-N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657820
3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604735
3-amino-5-phenyl-N-(1-phenylethyl)-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;1-phenylethanamine
CID 164995746

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[5-(methanesulfonamido)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[5-(methanesulfonamido)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (CID 155003048) is 3-amino-N-[[5-(methanesulfonamido)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[5-(methanesulfonamido)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[5-(methanesulfonamido)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is CS(=O)(=O)Nc1ccc(CNC(=O)c2nc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2N)nc1.
What is the InChIKey of 3-amino-N-[[5-(methanesulfonamido)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is WKVBADVYIVHSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O3S/c1-38(36,37)34-21-11-10-20(30-16-21)15-31-27(35)25-26(28)33-23(17-6-3-2-4-7-17)24(32-25)19-9-12-22-18(14-19)8-5-13-29-22/h2-14,16,34H,15H2,1H3,(H2,28,33)(H,31,35).
What are the key properties of 3-amino-N-[[5-(methanesulfonamido)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-N-[[5-(methanesulfonamido)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 525.59 g/mol, XLogP of 3.64, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[5-(methanesulfonamido)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 155003048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).