N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide

C23H25N3O3 — CID 109237906

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide
SMILESCCc1ccc(Nc2cncc(C(=O)NCc3ccc(OC)c(OC)c3)c2)cc1
InChIInChI=1S/C23H25N3O3/c1-4-16-5-8-19(9-6-16)26-20-12-18(14-24-15-20)23(27)25-13-17-7-10-21(28-2)22(11-17)29-3/h5-12,14-15,26H,4,13H2,1-3H3,(H,25,27)
InChIKeyBVLZYACGNNEUQD-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.33
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide (PubChem CID 109237906) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide
PubChem CID109237906
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide
SMILESCCc1ccc(Nc2cncc(C(=O)NCc3ccc(OC)c(OC)c3)c2)cc1
InChIInChI=1S/C23H25N3O3/c1-4-16-5-8-19(9-6-16)26-20-12-18(14-24-15-20)23(27)25-13-17-7-10-21(28-2)22(11-17)29-3/h5-12,14-15,26H,4,13H2,1-3H3,(H,25,27)
InChIKeyBVLZYACGNNEUQD-UHFFFAOYSA-N
XLogP4.33
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 109237922
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109237914
N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63866016
3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109101964
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)-2H-triazole-4-carboxamide
CID 50928973
5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243447
N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232108
5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234433
N-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109224477
5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233337
5-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243458
5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234453

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide (CID 109237906) is N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide is CCc1ccc(Nc2cncc(C(=O)NCc3ccc(OC)c(OC)c3)c2)cc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide?
The InChIKey is BVLZYACGNNEUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-4-16-5-8-19(9-6-16)26-20-12-18(14-24-15-20)23(27)25-13-17-7-10-21(28-2)22(11-17)29-3/h5-12,14-15,26H,4,13H2,1-3H3,(H,25,27).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109237906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).