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

C18H22N4O — CID 67239413

IUPAC5-ethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide
SMILESCCc1cnc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cn1
InChIInChI=1S/C18H22N4O/c1-2-15-11-21-17(12-20-15)18(23)22-16-7-5-13(6-8-16)14-4-3-9-19-10-14/h5-8,11-12,14,19H,2-4,9-10H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyJAXPOBMHYZCGPG-CQSZACIVSA-N
MW310.40 g/mol
LogP2.76
Rot. Bonds4

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

5-ethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide (PubChem CID 67239413) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-ethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide
PubChem CID67239413
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name5-ethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide
SMILESCCc1cnc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cn1
InChIInChI=1S/C18H22N4O/c1-2-15-11-21-17(12-20-15)18(23)22-16-7-5-13(6-8-16)14-4-3-9-19-10-14/h5-8,11-12,14,19H,2-4,9-10H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyJAXPOBMHYZCGPG-CQSZACIVSA-N
XLogP2.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-ethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide (CID 67239413) is 5-ethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide is CCc1cnc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cn1.
What is the InChIKey of 5-ethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide?
The InChIKey is JAXPOBMHYZCGPG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-15-11-21-17(12-20-15)18(23)22-16-7-5-13(6-8-16)14-4-3-9-19-10-14/h5-8,11-12,14,19H,2-4,9-10H2,1H3,(H,22,23)/t14-/m1/s1.
What are the key properties of 5-ethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide?
5-ethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 67239413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).