5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-(quinolin-7-ylamino)pyrazine-2-carboxamide

C24H29N7O2 — CID 158002452

About 5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-(quinolin-7-ylamino)pyrazine-2-carboxamide

5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-(quinolin-7-ylamino)pyrazine-2-carboxamide (PubChem CID 158002452) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-(quinolin-7-ylamino)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-(quinolin-7-ylamino)pyrazine-2-carboxamide
• PubChem CID: 158002452
• Molecular Formula: C24H29N7O2
• Molecular Weight: 447.54 g/mol
• Exact Mass: 447.24
• IUPAC Name: 5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-(quinolin-7-ylamino)pyrazine-2-carboxamide
• SMILES: C[C@@H]1[C@H](CC(=O)N(C)C)CCCN1c1cnc(C(N)=O)c(Nc2ccc3cccnc3c2)n1
• InChI: InChI=1S/C24H29N7O2/c1-15-17(12-21(32)30(2)3)7-5-11-31(15)20-14-27-22(23(25)33)24(29-20)28-18-9-8-16-6-4-10-26-19(16)13-18/h4,6,8-10,13-15,17H,5,7,11-12H2,1-3H3,(H2,25,33)(H,28,29)/t15-,17+/m1/s1
• InChIKey: FDWXIPLGSAJTAI-WBVHZDCISA-N
• XLogP: 2.95
• TPSA: 117.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-(quinolin-7-ylamino)pyrazine-2-carboxamide?

The IUPAC name of 5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-(quinolin-7-ylamino)pyrazine-2-carboxamide (CID 158002452) is 5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-(quinolin-7-ylamino)pyrazine-2-carboxamide.

What is the SMILES notation for 5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-(quinolin-7-ylamino)pyrazine-2-carboxamide?

The canonical SMILES for 5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-(quinolin-7-ylamino)pyrazine-2-carboxamide is C[C@@H]1[C@H](CC(=O)N(C)C)CCCN1c1cnc(C(N)=O)c(Nc2ccc3cccnc3c2)n1.

What is the InChIKey of 5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-(quinolin-7-ylamino)pyrazine-2-carboxamide?

The InChIKey is FDWXIPLGSAJTAI-WBVHZDCISA-N. The full InChI is InChI=1S/C24H29N7O2/c1-15-17(12-21(32)30(2)3)7-5-11-31(15)20-14-27-22(23(25)33)24(29-20)28-18-9-8-16-6-4-10-26-19(16)13-18/h4,6,8-10,13-15,17H,5,7,11-12H2,1-3H3,(H2,25,33)(H,28,29)/t15-,17+/m1/s1.

What are the key properties of 5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-(quinolin-7-ylamino)pyrazine-2-carboxamide?

5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-(quinolin-7-ylamino)pyrazine-2-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-(quinolin-7-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 158002452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).