(2R)-2-methoxy-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide

C17H23N5O2 — CID 129241388

IUPAC(2R)-2-methoxy-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide
SMILESCO[C@H](C)C(=O)N[C@@H]1C[C@H](C)CN(c2ccnc3nccnc23)C1
InChIInChI=1S/C17H23N5O2/c1-11-8-13(21-17(23)12(2)24-3)10-22(9-11)14-4-5-19-16-15(14)18-6-7-20-16/h4-7,11-13H,8-10H2,1-3H3,(H,21,23)/t11-,12+,13+/m0/s1
InChIKeyHGHBUTQHFDUMMB-YNEHKIRRSA-N
MW329.40 g/mol
LogP1.39
Rot. Bonds4

About (2R)-2-methoxy-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide

(2R)-2-methoxy-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide (PubChem CID 129241388) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R)-2-methoxy-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-methoxy-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide
PubChem CID129241388
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(2R)-2-methoxy-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide
SMILESCO[C@H](C)C(=O)N[C@@H]1C[C@H](C)CN(c2ccnc3nccnc23)C1
InChIInChI=1S/C17H23N5O2/c1-11-8-13(21-17(23)12(2)24-3)10-22(9-11)14-4-5-19-16-15(14)18-6-7-20-16/h4-7,11-13H,8-10H2,1-3H3,(H,21,23)/t11-,12+,13+/m0/s1
InChIKeyHGHBUTQHFDUMMB-YNEHKIRRSA-N
XLogP1.39
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide?
The IUPAC name of (2R)-2-methoxy-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide (CID 129241388) is (2R)-2-methoxy-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide.
What is the SMILES notation for (2R)-2-methoxy-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide?
The canonical SMILES for (2R)-2-methoxy-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide is CO[C@H](C)C(=O)N[C@@H]1C[C@H](C)CN(c2ccnc3nccnc23)C1.
What is the InChIKey of (2R)-2-methoxy-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide?
The InChIKey is HGHBUTQHFDUMMB-YNEHKIRRSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-8-13(21-17(23)12(2)24-3)10-22(9-11)14-4-5-19-16-15(14)18-6-7-20-16/h4-7,11-13H,8-10H2,1-3H3,(H,21,23)/t11-,12+,13+/m0/s1.
What are the key properties of (2R)-2-methoxy-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide?
(2R)-2-methoxy-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide has a molecular weight of 329.40 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-N-[(3R,5S)-5-methyl-1-pyrido[2,3-b]pyrazin-8-ylpiperidin-3-yl]propanamide is sourced from PubChem (CID 129241388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).