N-[[2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]methyl]-6-methoxypyridine-3-carboxamide

C30H29N3O2 — CID 123698048

IUPACN-[[2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]methyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2ccccc2-c2ccccc2C=Cc2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C30H29N3O2/c1-33(2)26-17-13-22(14-18-26)12-15-23-8-4-6-10-27(23)28-11-7-5-9-24(28)20-32-30(34)25-16-19-29(35-3)31-21-25/h4-19,21H,20H2,1-3H3,(H,32,34)
InChIKeyKOZRJVCMVCQJTA-UHFFFAOYSA-N
MW463.58 g/mol
LogP5.92
Rot. Bonds8

About N-[[2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]methyl]-6-methoxypyridine-3-carboxamide

N-[[2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]methyl]-6-methoxypyridine-3-carboxamide (PubChem CID 123698048) has the molecular formula C30H29N3O2 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[[2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]methyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]methyl]-6-methoxypyridine-3-carboxamide
PubChem CID123698048
Molecular FormulaC30H29N3O2
Molecular Weight463.58 g/mol
Exact Mass463.23
IUPAC NameN-[[2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]methyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2ccccc2-c2ccccc2C=Cc2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C30H29N3O2/c1-33(2)26-17-13-22(14-18-26)12-15-23-8-4-6-10-27(23)28-11-7-5-9-24(28)20-32-30(34)25-16-19-29(35-3)31-21-25/h4-19,21H,20H2,1-3H3,(H,32,34)
InChIKeyKOZRJVCMVCQJTA-UHFFFAOYSA-N
XLogP5.92
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-2-(6-methoxy-3-pyridinyl)acetamide
CID 123780890
2-[4-(dimethylamino)phenyl]-N-[[2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]acetamide
CID 86293640
N-[[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]methyl]-2-(4-fluorophenyl)acetamide
CID 86294391
N-[[2-(diethylaminomethyl)phenyl]methyl]-6-methoxypyridine-3-carboxamide
CID 24532719
6-[4-(dimethylamino)anilino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157204
6-methoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24532714
4-(dimethylamino)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 110473275
6-ethoxy-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 46488664
N-[2-(2-ethylanilino)-2-oxoethyl]-6-methoxypyridine-3-carboxamide
CID 24531875
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
N-[[3-(hydroxymethyl)phenyl]methyl]-6-methoxypyridine-3-carboxamide
CID 63310970
[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 132506208

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]methyl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[[2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]methyl]-6-methoxypyridine-3-carboxamide (CID 123698048) is N-[[2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]methyl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[[2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]methyl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[[2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]methyl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)NCc2ccccc2-c2ccccc2C=Cc2ccc(N(C)C)cc2)cn1.
What is the InChIKey of N-[[2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]methyl]-6-methoxypyridine-3-carboxamide?
The InChIKey is KOZRJVCMVCQJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O2/c1-33(2)26-17-13-22(14-18-26)12-15-23-8-4-6-10-27(23)28-11-7-5-9-24(28)20-32-30(34)25-16-19-29(35-3)31-21-25/h4-19,21H,20H2,1-3H3,(H,32,34).
What are the key properties of N-[[2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]methyl]-6-methoxypyridine-3-carboxamide?
N-[[2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]methyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 5.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]phenyl]phenyl]methyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 123698048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).