N-[2-(dimethylamino)ethyl]-4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzamide

C25H31N5O — CID 11304630

IUPACN-[2-(dimethylamino)ethyl]-4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzamide
SMILESCCCC(Nc1cncc(-c2ccc(C(=O)NCCN(C)C)cc2)n1)c1ccccc1
InChIInChI=1S/C25H31N5O/c1-4-8-22(19-9-6-5-7-10-19)28-24-18-26-17-23(29-24)20-11-13-21(14-12-20)25(31)27-15-16-30(2)3/h5-7,9-14,17-18,22H,4,8,15-16H2,1-3H3,(H,27,31)(H,28,29)
InChIKeyIGVQRCQKLYRQIR-UHFFFAOYSA-N
MW417.56 g/mol
LogP4.39
Rot. Bonds10

About N-[2-(dimethylamino)ethyl]-4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzamide

N-[2-(dimethylamino)ethyl]-4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzamide (PubChem CID 11304630) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzamide
PubChem CID11304630
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzamide
SMILESCCCC(Nc1cncc(-c2ccc(C(=O)NCCN(C)C)cc2)n1)c1ccccc1
InChIInChI=1S/C25H31N5O/c1-4-8-22(19-9-6-5-7-10-19)28-24-18-26-17-23(29-24)20-11-13-21(14-12-20)25(31)27-15-16-30(2)3/h5-7,9-14,17-18,22H,4,8,15-16H2,1-3H3,(H,27,31)(H,28,29)
InChIKeyIGVQRCQKLYRQIR-UHFFFAOYSA-N
XLogP4.39
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(diethylamino)propyl]-4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzamide
CID 11167065
N-(1-phenylbutyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine
CID 11395490
N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride
CID 67598283
N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide
CID 11316795
1-[4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pentan-2-one
CID 58496576
N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide
CID 11574190
N-[2-(dimethylamino)ethyl]-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109229099
6-[2-(dimethylamino)ethylamino]-N-(3,3-diphenylpropyl)pyridine-3-carboxamide
CID 11976421
N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide
CID 15410383
N-[2-(dimethylamino)ethyl]-3-[6-[4-hydroxy-3-(methylamino)phenyl]pyrazin-2-yl]benzamide
CID 144980314
5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide
CID 109101145
N-[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide
CID 2184828

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzamide (CID 11304630) is N-[2-(dimethylamino)ethyl]-4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzamide is CCCC(Nc1cncc(-c2ccc(C(=O)NCCN(C)C)cc2)n1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzamide?
The InChIKey is IGVQRCQKLYRQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c1-4-8-22(19-9-6-5-7-10-19)28-24-18-26-17-23(29-24)20-11-13-21(14-12-20)25(31)27-15-16-30(2)3/h5-7,9-14,17-18,22H,4,8,15-16H2,1-3H3,(H,27,31)(H,28,29).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzamide?
N-[2-(dimethylamino)ethyl]-4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzamide has a molecular weight of 417.56 g/mol, XLogP of 4.39, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzamide is sourced from PubChem (CID 11304630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).