3-[3-(dimethylamino)pyrazin-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide

C25H29N5O — CID 50847566

IUPAC3-[3-(dimethylamino)pyrazin-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
SMILESCN(C)c1nccnc1-c1cccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C25H29N5O/c1-29(2)24-23(26-13-14-27-24)20-7-6-8-21(17-20)25(31)28-18-19-9-11-22(12-10-19)30-15-4-3-5-16-30/h6-14,17H,3-5,15-16,18H2,1-2H3,(H,28,31)
InChIKeyMAJZVGILPTUYET-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.13
Rot. Bonds6

About 3-[3-(dimethylamino)pyrazin-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide

3-[3-(dimethylamino)pyrazin-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide (PubChem CID 50847566) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 3-[3-(dimethylamino)pyrazin-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)pyrazin-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
PubChem CID50847566
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name3-[3-(dimethylamino)pyrazin-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
SMILESCN(C)c1nccnc1-c1cccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C25H29N5O/c1-29(2)24-23(26-13-14-27-24)20-7-6-8-21(17-20)25(31)28-18-19-9-11-22(12-10-19)30-15-4-3-5-16-30/h6-14,17H,3-5,15-16,18H2,1-2H3,(H,28,31)
InChIKeyMAJZVGILPTUYET-UHFFFAOYSA-N
XLogP4.13
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 3-[3-(dimethylamino)pyrazin-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(dimethylamino)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 50847599
N-[(4-propan-2-yloxyphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50847636
N-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50847665
N-[[4-(dimethylamino)phenyl]methyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
CID 50848231
3-cyano-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 110405088
2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide
CID 35616071
N-[(4-piperidin-1-ylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704007
N-[(4-propan-2-ylphenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108749
4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 100576325
3-morpholin-4-ylsulfonyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 99258291
N-[(4-propan-2-ylphenyl)methyl]-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53099037
3-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 68651367

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)pyrazin-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of 3-[3-(dimethylamino)pyrazin-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide (CID 50847566) is 3-[3-(dimethylamino)pyrazin-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 3-[3-(dimethylamino)pyrazin-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 3-[3-(dimethylamino)pyrazin-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide is CN(C)c1nccnc1-c1cccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of 3-[3-(dimethylamino)pyrazin-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
The InChIKey is MAJZVGILPTUYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-29(2)24-23(26-13-14-27-24)20-7-6-8-21(17-20)25(31)28-18-19-9-11-22(12-10-19)30-15-4-3-5-16-30/h6-14,17H,3-5,15-16,18H2,1-2H3,(H,28,31).
What are the key properties of 3-[3-(dimethylamino)pyrazin-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
3-[3-(dimethylamino)pyrazin-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide has a molecular weight of 415.54 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)pyrazin-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 50847566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).