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

C30H28N6O2 — CID 154658067

IUPAC3-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-N-methyl-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCN(Cc1cccc(C(C)(C)O)n1)C(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C30H28N6O2/c1-30(2,38)24-13-7-12-22(33-24)18-36(3)29(37)27-28(31)35-25(19-9-5-4-6-10-19)26(34-27)21-14-15-23-20(17-21)11-8-16-32-23/h4-17,38H,18H2,1-3H3,(H2,31,35)
InChIKeyQDDNDNDFCQPQJU-UHFFFAOYSA-N
MW504.59 g/mol
LogP4.84
Rot. Bonds6

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

3-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-N-methyl-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154658067) has the molecular formula C30H28N6O2 and a molecular weight of 504.59 g/mol. Its IUPAC name is 3-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-N-methyl-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-N-methyl-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID154658067
Molecular FormulaC30H28N6O2
Molecular Weight504.59 g/mol
Exact Mass504.23
IUPAC Name3-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-N-methyl-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCN(Cc1cccc(C(C)(C)O)n1)C(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C30H28N6O2/c1-30(2,38)24-13-7-12-22(33-24)18-36(3)29(37)27-28(31)35-25(19-9-5-4-6-10-19)26(34-27)21-14-15-23-20(17-21)11-8-16-32-23/h4-17,38H,18H2,1-3H3,(H2,31,35)
InChIKeyQDDNDNDFCQPQJU-UHFFFAOYSA-N
XLogP4.84
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.59
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-[2-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxyethyl]-2-pyridinyl]propan-2-ol
CID 154658300
3-amino-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604777
3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604481
3-amino-N-[2-(3-methoxy-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604804
2-[6-[[[(2E)-2-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2-hydrazinylideneethylidene]amino]methyl]-2-pyridinyl]propan-2-ol
CID 154657915
3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 137430865
3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604613
3-amino-N-[[5-(methanesulfonamido)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 155003048
6-[1-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxy-2-methylpropan-2-yl]pyridine-2-carbonitrile
CID 154604405
3-amino-5-(1-methylpyrazol-3-yl)-N-[(6-propan-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658102
3-amino-N-[(6-methyl-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604677
3-amino-N-(isoquinolin-3-ylmethyl)-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657882

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-N-methyl-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-N-methyl-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154658067) is 3-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-N-methyl-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-N-methyl-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-N-methyl-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is CN(Cc1cccc(C(C)(C)O)n1)C(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N.
What is the InChIKey of 3-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-N-methyl-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is QDDNDNDFCQPQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O2/c1-30(2,38)24-13-7-12-22(33-24)18-36(3)29(37)27-28(31)35-25(19-9-5-4-6-10-19)26(34-27)21-14-15-23-20(17-21)11-8-16-32-23/h4-17,38H,18H2,1-3H3,(H2,31,35).
What are the key properties of 3-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-N-methyl-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-N-methyl-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 504.59 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-N-methyl-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154658067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).