2-[4-(dimethylamino)anilino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide

C23H26N4O2 — CID 109178298

IUPAC2-[4-(dimethylamino)anilino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccnc(Nc3ccc(N(C)C)cc3)c2)cc1
InChIInChI=1S/C23H26N4O2/c1-16(2)29-21-11-7-19(8-12-21)26-23(28)17-13-14-24-22(15-17)25-18-5-9-20(10-6-18)27(3)4/h5-16H,1-4H3,(H,24,25)(H,26,28)
InChIKeyGUVYMNYQATVCPB-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.93
Rot. Bonds7

About 2-[4-(dimethylamino)anilino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide

2-[4-(dimethylamino)anilino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide (PubChem CID 109178298) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[4-(dimethylamino)anilino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)anilino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
PubChem CID109178298
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[4-(dimethylamino)anilino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccnc(Nc3ccc(N(C)C)cc3)c2)cc1
InChIInChI=1S/C23H26N4O2/c1-16(2)29-21-11-7-19(8-12-21)26-23(28)17-13-14-24-22(15-17)25-18-5-9-20(10-6-18)27(3)4/h5-16H,1-4H3,(H,24,25)(H,26,28)
InChIKeyGUVYMNYQATVCPB-UHFFFAOYSA-N
XLogP4.93
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.93
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-butan-2-yl-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109165854
2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109165938
N-[4-(dimethylamino)phenyl]-2-(ethylamino)pyridine-4-carboxamide
CID 62168755
2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109175218
N-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide
CID 109166952
2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide
CID 109176141
N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109169793
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109176294
2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109178053
N-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide
CID 109178212
2-[4-(dimethylamino)anilino]pyridine-4-carbothioamide
CID 43617135
N-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide
CID 109170914

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)anilino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[4-(dimethylamino)anilino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide (CID 109178298) is 2-[4-(dimethylamino)anilino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-(dimethylamino)anilino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[4-(dimethylamino)anilino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide is CC(C)Oc1ccc(NC(=O)c2ccnc(Nc3ccc(N(C)C)cc3)c2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)anilino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide?
The InChIKey is GUVYMNYQATVCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16(2)29-21-11-7-19(8-12-21)26-23(28)17-13-14-24-22(15-17)25-18-5-9-20(10-6-18)27(3)4/h5-16H,1-4H3,(H,24,25)(H,26,28).
What are the key properties of 2-[4-(dimethylamino)anilino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide?
2-[4-(dimethylamino)anilino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)anilino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109178298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).