N-[2-(dimethylamino)ethyl]-3-[6-[4-hydroxy-3-(methylamino)phenyl]pyrazin-2-yl]benzamide

C22H25N5O2 — CID 144980314

IUPACN-[2-(dimethylamino)ethyl]-3-[6-[4-hydroxy-3-(methylamino)phenyl]pyrazin-2-yl]benzamide
SMILESCNc1cc(-c2cncc(-c3cccc(C(=O)NCCN(C)C)c3)n2)ccc1O
InChIInChI=1S/C22H25N5O2/c1-23-18-12-16(7-8-21(18)28)20-14-24-13-19(26-20)15-5-4-6-17(11-15)22(29)25-9-10-27(2)3/h4-8,11-14,23,28H,9-10H2,1-3H3,(H,25,29)
InChIKeyHBGYNFULZPYZDU-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.85
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-3-[6-[4-hydroxy-3-(methylamino)phenyl]pyrazin-2-yl]benzamide

N-[2-(dimethylamino)ethyl]-3-[6-[4-hydroxy-3-(methylamino)phenyl]pyrazin-2-yl]benzamide (PubChem CID 144980314) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[6-[4-hydroxy-3-(methylamino)phenyl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[6-[4-hydroxy-3-(methylamino)phenyl]pyrazin-2-yl]benzamide
PubChem CID144980314
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[6-[4-hydroxy-3-(methylamino)phenyl]pyrazin-2-yl]benzamide
SMILESCNc1cc(-c2cncc(-c3cccc(C(=O)NCCN(C)C)c3)n2)ccc1O
InChIInChI=1S/C22H25N5O2/c1-23-18-12-16(7-8-21(18)28)20-14-24-13-19(26-20)15-5-4-6-17(11-15)22(29)25-9-10-27(2)3/h4-8,11-14,23,28H,9-10H2,1-3H3,(H,25,29)
InChIKeyHBGYNFULZPYZDU-UHFFFAOYSA-N
XLogP2.85
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-[5-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 68945225
N-[2-(dimethylamino)ethyl]-3-(3-ethylphenyl)benzamide
CID 70827081
N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46743906
N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride
CID 67598283
3-[6-(dimethylamino)pyrazin-2-yl]-N-[2-(methanesulfonamido)ethyl]benzamide
CID 122566280
3-[3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide
CID 71729713
3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 25106863
3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109053176
N-[2-(dimethylamino)ethyl]-3-methylsulfanylbenzamide
CID 67490104
5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide
CID 109101145
5-N-[2-(dimethylamino)ethyl]-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109104046
N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide
CID 62171664

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[6-[4-hydroxy-3-(methylamino)phenyl]pyrazin-2-yl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[6-[4-hydroxy-3-(methylamino)phenyl]pyrazin-2-yl]benzamide (CID 144980314) is N-[2-(dimethylamino)ethyl]-3-[6-[4-hydroxy-3-(methylamino)phenyl]pyrazin-2-yl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[6-[4-hydroxy-3-(methylamino)phenyl]pyrazin-2-yl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[6-[4-hydroxy-3-(methylamino)phenyl]pyrazin-2-yl]benzamide is CNc1cc(-c2cncc(-c3cccc(C(=O)NCCN(C)C)c3)n2)ccc1O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[6-[4-hydroxy-3-(methylamino)phenyl]pyrazin-2-yl]benzamide?
The InChIKey is HBGYNFULZPYZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-23-18-12-16(7-8-21(18)28)20-14-24-13-19(26-20)15-5-4-6-17(11-15)22(29)25-9-10-27(2)3/h4-8,11-14,23,28H,9-10H2,1-3H3,(H,25,29).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[6-[4-hydroxy-3-(methylamino)phenyl]pyrazin-2-yl]benzamide?
N-[2-(dimethylamino)ethyl]-3-[6-[4-hydroxy-3-(methylamino)phenyl]pyrazin-2-yl]benzamide has a molecular weight of 391.48 g/mol, XLogP of 2.85, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[6-[4-hydroxy-3-(methylamino)phenyl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 144980314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).