3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide

C25H19N7O — CID 154604481

IUPAC3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)NCc1cncnc1
InChIInChI=1S/C25H19N7O/c26-24-23(25(33)30-14-16-12-27-15-28-13-16)31-22(21(32-24)17-5-2-1-3-6-17)19-8-9-20-18(11-19)7-4-10-29-20/h1-13,15H,14H2,(H2,26,32)(H,30,33)
InChIKeyXHPMYBFGQQCPGS-UHFFFAOYSA-N
MW433.48 g/mol
LogP3.66
Rot. Bonds5

About 3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154604481) has the molecular formula C25H19N7O and a molecular weight of 433.48 g/mol. Its IUPAC name is 3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID154604481
Molecular FormulaC25H19N7O
Molecular Weight433.48 g/mol
Exact Mass433.17
IUPAC Name3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)NCc1cncnc1
InChIInChI=1S/C25H19N7O/c26-24-23(25(33)30-14-16-12-27-15-28-13-16)31-22(21(32-24)17-5-2-1-3-6-17)19-8-9-20-18(11-19)7-4-10-29-20/h1-13,15H,14H2,(H2,26,32)(H,30,33)
InChIKeyXHPMYBFGQQCPGS-UHFFFAOYSA-N
XLogP3.66
TPSA119.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604735
3-amino-N-[[5-(methanesulfonamido)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 155003048
3-amino-N-[[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658025
3-amino-N-[(3-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658075
3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604613
3-amino-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604777
3-amino-N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657820
3-amino-N-(isoquinolin-3-ylmethyl)-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657882
3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide
CID 154658260
3-amino-N-[2-(3-methoxy-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604804
3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154656204
3-amino-5-(1-methylpyrazol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604553

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154604481) is 3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide is Nc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)NCc1cncnc1.
What is the InChIKey of 3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is XHPMYBFGQQCPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7O/c26-24-23(25(33)30-14-16-12-27-15-28-13-16)31-22(21(32-24)17-5-2-1-3-6-17)19-8-9-20-18(11-19)7-4-10-29-20/h1-13,15H,14H2,(H2,26,32)(H,30,33).
What are the key properties of 3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 433.48 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154604481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).