N-[[4-(dimethylamino)phenyl]methyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide

C25H29N5O — CID 50848231

IUPACN-[[4-(dimethylamino)phenyl]methyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
SMILESCN(C)c1ccc(CNC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)cc1
InChIInChI=1S/C25H29N5O/c1-29(2)22-12-6-19(7-13-22)18-28-25(31)21-10-8-20(9-11-21)23-24(27-15-14-26-23)30-16-4-3-5-17-30/h6-15H,3-5,16-18H2,1-2H3,(H,28,31)
InChIKeyKGUGNMDWVCTHAA-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.13
Rot. Bonds6

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

N-[[4-(dimethylamino)phenyl]methyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide (PubChem CID 50848231) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
PubChem CID50848231
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
SMILESCN(C)c1ccc(CNC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)cc1
InChIInChI=1S/C25H29N5O/c1-29(2)22-12-6-19(7-13-22)18-28-25(31)21-10-8-20(9-11-21)23-24(27-15-14-26-23)30-16-4-3-5-17-30/h6-15H,3-5,16-18H2,1-2H3,(H,28,31)
InChIKeyKGUGNMDWVCTHAA-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'}

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Related Compounds

N-[(4-methylsulfanylphenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50848410
N-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71830338
N-[(2,4-difluorophenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50848385
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
3-[3-(dimethylamino)pyrazin-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 50847566
N-[2-(cyclohexen-1-yl)ethyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50848279
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
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 46981532
N-(3-methylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
CID 50848199
N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392089

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide (CID 50848231) is N-[[4-(dimethylamino)phenyl]methyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide is CN(C)c1ccc(CNC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide?
The InChIKey is KGUGNMDWVCTHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-29(2)22-12-6-19(7-13-22)18-28-25(31)21-10-8-20(9-11-21)23-24(27-15-14-26-23)30-16-4-3-5-17-30/h6-15H,3-5,16-18H2,1-2H3,(H,28,31).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide?
N-[[4-(dimethylamino)phenyl]methyl]-4-(3-piperidin-1-ylpyrazin-2-yl)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 N-[[4-(dimethylamino)phenyl]methyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide is sourced from PubChem (CID 50848231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).