5-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide

C17H20N4O — CID 67240531

IUPAC5-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cn1
InChIInChI=1S/C17H20N4O/c1-12-9-20-16(11-19-12)17(22)21-15-6-4-13(5-7-15)14-3-2-8-18-10-14/h4-7,9,11,14,18H,2-3,8,10H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyXQGPRSWBBIDMCR-CQSZACIVSA-N
MW296.37 g/mol
LogP2.50
Rot. Bonds3

About 5-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide

5-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide (PubChem CID 67240531) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide
PubChem CID67240531
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name5-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cn1
InChIInChI=1S/C17H20N4O/c1-12-9-20-16(11-19-12)17(22)21-15-6-4-13(5-7-15)14-3-2-8-18-10-14/h4-7,9,11,14,18H,2-3,8,10H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyXQGPRSWBBIDMCR-CQSZACIVSA-N
XLogP2.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide (CID 67240531) is 5-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cn1.
What is the InChIKey of 5-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide?
The InChIKey is XQGPRSWBBIDMCR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-9-20-16(11-19-12)17(22)21-15-6-4-13(5-7-15)14-3-2-8-18-10-14/h4-7,9,11,14,18H,2-3,8,10H2,1H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 5-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide?
5-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 67240531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).