N-[4-(dimethylamino)phenyl]-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide

C23H26N4O2 — CID 109214623

IUPACN-[4-(dimethylamino)phenyl]-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CCNc2ccnc(C(=O)Nc3ccc(N(C)C)cc3)c2)cc1
InChIInChI=1S/C23H26N4O2/c1-27(2)20-8-6-18(7-9-20)26-23(28)22-16-19(13-15-25-22)24-14-12-17-4-10-21(29-3)11-5-17/h4-11,13,15-16H,12,14H2,1-3H3,(H,24,25)(H,26,28)
InChIKeyACBNBYYZGFDFOC-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.06
Rot. Bonds8

About N-[4-(dimethylamino)phenyl]-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide

N-[4-(dimethylamino)phenyl]-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide (PubChem CID 109214623) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
PubChem CID109214623
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[4-(dimethylamino)phenyl]-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CCNc2ccnc(C(=O)Nc3ccc(N(C)C)cc3)c2)cc1
InChIInChI=1S/C23H26N4O2/c1-27(2)20-8-6-18(7-9-20)26-23(28)22-16-19(13-15-25-22)24-14-12-17-4-10-21(29-3)11-5-17/h4-11,13,15-16H,12,14H2,1-3H3,(H,24,25)(H,26,28)
InChIKeyACBNBYYZGFDFOC-UHFFFAOYSA-N
XLogP4.06
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-difluorophenyl)-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214633
N-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214598
N-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214230
4-[2-(4-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202891
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214179
N-[4-(dimethylamino)phenyl]-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208013
N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109204026
N-(4-methoxyphenyl)-4-(methylamino)pyridine-2-carboxamide
CID 55042638
N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209636
N-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203188
N-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190538
N-[4-(dimethylamino)phenyl]-6-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351338

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide (CID 109214623) is N-[4-(dimethylamino)phenyl]-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide is COc1ccc(CCNc2ccnc(C(=O)Nc3ccc(N(C)C)cc3)c2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
The InChIKey is ACBNBYYZGFDFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-27(2)20-8-6-18(7-9-20)26-23(28)22-16-19(13-15-25-22)24-14-12-17-4-10-21(29-3)11-5-17/h4-11,13,15-16H,12,14H2,1-3H3,(H,24,25)(H,26,28).
What are the key properties of N-[4-(dimethylamino)phenyl]-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
N-[4-(dimethylamino)phenyl]-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109214623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).