3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide

C27H22N6O — CID 154604613

IUPAC3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESC[C@H](NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ccccn1
InChIInChI=1S/C27H22N6O/c1-17(21-11-5-6-14-29-21)31-27(34)25-26(28)33-23(18-8-3-2-4-9-18)24(32-25)20-12-13-22-19(16-20)10-7-15-30-22/h2-17H,1H3,(H2,28,33)(H,31,34)/t17-/m0/s1
InChIKeyGFKRWSMORVLFFP-KRWDZBQOSA-N
MW446.51 g/mol
LogP4.83
Rot. Bonds5

About 3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154604613) has the molecular formula C27H22N6O and a molecular weight of 446.51 g/mol. Its IUPAC name is 3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID154604613
Molecular FormulaC27H22N6O
Molecular Weight446.51 g/mol
Exact Mass446.19
IUPAC Name3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESC[C@H](NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ccccn1
InChIInChI=1S/C27H22N6O/c1-17(21-11-5-6-14-29-21)31-27(34)25-26(28)33-23(18-8-3-2-4-9-18)24(32-25)20-12-13-22-19(16-20)10-7-15-30-22/h2-17H,1H3,(H2,28,33)(H,31,34)/t17-/m0/s1
InChIKeyGFKRWSMORVLFFP-KRWDZBQOSA-N
XLogP4.83
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(3-cyanophenyl)-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 164607280
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
3-amino-N-[(3Z)-3-(methylideneamino)hexa-3,5-dien-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154656358
3-amino-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604777
3-amino-N-(7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657981
3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604481
3-amino-6-(8-chloroquinolin-6-yl)-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-5-phenylpyrazine-2-carboxamide
CID 154604570
3-amino-N-[2-(3-methoxy-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604804
3-amino-N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657820
3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154656204
3-amino-N-[1-(3-cyanophenyl)ethyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657884
3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 137430865

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154604613) is 3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide is C[C@H](NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ccccn1.
What is the InChIKey of 3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is GFKRWSMORVLFFP-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H22N6O/c1-17(21-11-5-6-14-29-21)31-27(34)25-26(28)33-23(18-8-3-2-4-9-18)24(32-25)20-12-13-22-19(16-20)10-7-15-30-22/h2-17H,1H3,(H2,28,33)(H,31,34)/t17-/m0/s1.
What are the key properties of 3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154604613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).