N-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]acetamide

C19H22N4O — CID 59580385

IUPACN-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]acetamide
SMILESCC(=O)Nc1cnc(C2=C(C)CCN(Cc3ccccc3)C2)cn1
InChIInChI=1S/C19H22N4O/c1-14-8-9-23(12-16-6-4-3-5-7-16)13-17(14)18-10-21-19(11-20-18)22-15(2)24/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,21,22,24)
InChIKeyZLWRNFBPEMTDBQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.11
Rot. Bonds4

About N-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]acetamide

N-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]acetamide (PubChem CID 59580385) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]acetamide
PubChem CID59580385
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]acetamide
SMILESCC(=O)Nc1cnc(C2=C(C)CCN(Cc3ccccc3)C2)cn1
InChIInChI=1S/C19H22N4O/c1-14-8-9-23(12-16-6-4-3-5-7-16)13-17(14)18-10-21-19(11-20-18)22-15(2)24/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,21,22,24)
InChIKeyZLWRNFBPEMTDBQ-UHFFFAOYSA-N
XLogP3.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]acetamide?
The IUPAC name of N-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]acetamide (CID 59580385) is N-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]acetamide.
What is the SMILES notation for N-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]acetamide?
The canonical SMILES for N-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]acetamide is CC(=O)Nc1cnc(C2=C(C)CCN(Cc3ccccc3)C2)cn1.
What is the InChIKey of N-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]acetamide?
The InChIKey is ZLWRNFBPEMTDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14-8-9-23(12-16-6-4-3-5-7-16)13-17(14)18-10-21-19(11-20-18)22-15(2)24/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,21,22,24).
What are the key properties of N-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]acetamide?
N-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]acetamide is sourced from PubChem (CID 59580385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).