N-[(3R,4R)-3-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]pyrazine-2-carboxamide

C18H24N6O2 — CID 70719447

IUPACN-[(3R,4R)-3-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCCCc1cnc(C)nc1N1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1
InChIInChI=1S/C18H24N6O2/c1-3-4-13-9-21-12(2)22-17(13)24-8-5-14(16(25)11-24)23-18(26)15-10-19-6-7-20-15/h6-7,9-10,14,16,25H,3-5,8,11H2,1-2H3,(H,23,26)/t14-,16-/m1/s1
InChIKeyDCAUFVRYUBXXDC-GDBMZVCRSA-N
MW356.43 g/mol
LogP0.90
Rot. Bonds5

About N-[(3R,4R)-3-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]pyrazine-2-carboxamide

N-[(3R,4R)-3-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 70719447) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID70719447
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-[(3R,4R)-3-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCCCc1cnc(C)nc1N1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1
InChIInChI=1S/C18H24N6O2/c1-3-4-13-9-21-12(2)22-17(13)24-8-5-14(16(25)11-24)23-18(26)15-10-19-6-7-20-15/h6-7,9-10,14,16,25H,3-5,8,11H2,1-2H3,(H,23,26)/t14-,16-/m1/s1
InChIKeyDCAUFVRYUBXXDC-GDBMZVCRSA-N
XLogP0.90
TPSA104.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]pyrazine-2-carboxamide (CID 70719447) is N-[(3R,4R)-3-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]pyrazine-2-carboxamide is CCCc1cnc(C)nc1N1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is DCAUFVRYUBXXDC-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-3-4-13-9-21-12(2)22-17(13)24-8-5-14(16(25)11-24)23-18(26)15-10-19-6-7-20-15/h6-7,9-10,14,16,25H,3-5,8,11H2,1-2H3,(H,23,26)/t14-,16-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]pyrazine-2-carboxamide?
N-[(3R,4R)-3-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 70719447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).