N-[4-(dimethylamino)phenyl]-3-pyrazin-2-yloxy-N-(1H-pyrrol-2-ylmethyl)benzamide

C24H23N5O2 — CID 154859919

IUPACN-[4-(dimethylamino)phenyl]-3-pyrazin-2-yloxy-N-(1H-pyrrol-2-ylmethyl)benzamide
SMILESCN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2cccc(Oc3cnccn3)c2)cc1
InChIInChI=1S/C24H23N5O2/c1-28(2)20-8-10-21(11-9-20)29(17-19-6-4-12-26-19)24(30)18-5-3-7-22(15-18)31-23-16-25-13-14-27-23/h3-16,26H,17H2,1-2H3
InChIKeyLWTUOBMVHQKXSN-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.51
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-3-pyrazin-2-yloxy-N-(1H-pyrrol-2-ylmethyl)benzamide

N-[4-(dimethylamino)phenyl]-3-pyrazin-2-yloxy-N-(1H-pyrrol-2-ylmethyl)benzamide (PubChem CID 154859919) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-pyrazin-2-yloxy-N-(1H-pyrrol-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-pyrazin-2-yloxy-N-(1H-pyrrol-2-ylmethyl)benzamide
PubChem CID154859919
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-[4-(dimethylamino)phenyl]-3-pyrazin-2-yloxy-N-(1H-pyrrol-2-ylmethyl)benzamide
SMILESCN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2cccc(Oc3cnccn3)c2)cc1
InChIInChI=1S/C24H23N5O2/c1-28(2)20-8-10-21(11-9-20)29(17-19-6-4-12-26-19)24(30)18-5-3-7-22(15-18)31-23-16-25-13-14-27-23/h3-16,26H,17H2,1-2H3
InChIKeyLWTUOBMVHQKXSN-UHFFFAOYSA-N
XLogP4.51
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-pyrazin-2-yloxy-N-(1H-pyrrol-2-ylmethyl)benzamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-pyrazin-2-yloxy-N-(1H-pyrrol-2-ylmethyl)benzamide (CID 154859919) is N-[4-(dimethylamino)phenyl]-3-pyrazin-2-yloxy-N-(1H-pyrrol-2-ylmethyl)benzamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-pyrazin-2-yloxy-N-(1H-pyrrol-2-ylmethyl)benzamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-pyrazin-2-yloxy-N-(1H-pyrrol-2-ylmethyl)benzamide is CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2cccc(Oc3cnccn3)c2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-pyrazin-2-yloxy-N-(1H-pyrrol-2-ylmethyl)benzamide?
The InChIKey is LWTUOBMVHQKXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-28(2)20-8-10-21(11-9-20)29(17-19-6-4-12-26-19)24(30)18-5-3-7-22(15-18)31-23-16-25-13-14-27-23/h3-16,26H,17H2,1-2H3.
What are the key properties of N-[4-(dimethylamino)phenyl]-3-pyrazin-2-yloxy-N-(1H-pyrrol-2-ylmethyl)benzamide?
N-[4-(dimethylamino)phenyl]-3-pyrazin-2-yloxy-N-(1H-pyrrol-2-ylmethyl)benzamide has a molecular weight of 413.48 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-pyrazin-2-yloxy-N-(1H-pyrrol-2-ylmethyl)benzamide is sourced from PubChem (CID 154859919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).