6-[3-[[(3R)-3-hydroxypiperidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide

C18H21N5O3 — CID 125446165

IUPAC6-[3-[[(3R)-3-hydroxypiperidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(-c2cccc(C(=O)NC[C@@]3(O)CCCNC3)c2)n1
InChIInChI=1S/C18H21N5O3/c19-16(24)15-9-21-8-14(23-15)12-3-1-4-13(7-12)17(25)22-11-18(26)5-2-6-20-10-18/h1,3-4,7-9,20,26H,2,5-6,10-11H2,(H2,19,24)(H,22,25)/t18-/m1/s1
InChIKeyIDWWYMLURBQSPF-GOSISDBHSA-N
MW355.40 g/mol
LogP0.09
Rot. Bonds5

About 6-[3-[[(3R)-3-hydroxypiperidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide

6-[3-[[(3R)-3-hydroxypiperidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide (PubChem CID 125446165) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 6-[3-[[(3R)-3-hydroxypiperidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[3-[[(3R)-3-hydroxypiperidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide
PubChem CID125446165
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name6-[3-[[(3R)-3-hydroxypiperidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(-c2cccc(C(=O)NC[C@@]3(O)CCCNC3)c2)n1
InChIInChI=1S/C18H21N5O3/c19-16(24)15-9-21-8-14(23-15)12-3-1-4-13(7-12)17(25)22-11-18(26)5-2-6-20-10-18/h1,3-4,7-9,20,26H,2,5-6,10-11H2,(H2,19,24)(H,22,25)/t18-/m1/s1
InChIKeyIDWWYMLURBQSPF-GOSISDBHSA-N
XLogP0.09
TPSA130.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[[(3R)-3-hydroxypiperidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 6-[3-[[(3R)-3-hydroxypiperidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide (CID 125446165) is 6-[3-[[(3R)-3-hydroxypiperidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[3-[[(3R)-3-hydroxypiperidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-[3-[[(3R)-3-hydroxypiperidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide is NC(=O)c1cncc(-c2cccc(C(=O)NC[C@@]3(O)CCCNC3)c2)n1.
What is the InChIKey of 6-[3-[[(3R)-3-hydroxypiperidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide?
The InChIKey is IDWWYMLURBQSPF-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21N5O3/c19-16(24)15-9-21-8-14(23-15)12-3-1-4-13(7-12)17(25)22-11-18(26)5-2-6-20-10-18/h1,3-4,7-9,20,26H,2,5-6,10-11H2,(H2,19,24)(H,22,25)/t18-/m1/s1.
What are the key properties of 6-[3-[[(3R)-3-hydroxypiperidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide?
6-[3-[[(3R)-3-hydroxypiperidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 0.09, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[(3R)-3-hydroxypiperidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 125446165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).