N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide

C23H24N4O2 — CID 109199887

IUPACN-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccc(N4CCCC4)cc3)cn2)cc1
InChIInChI=1S/C23H24N4O2/c1-29-21-11-6-18(7-12-21)26-23(28)22-13-8-19(16-24-22)25-17-4-9-20(10-5-17)27-14-2-3-15-27/h4-13,16,25H,2-3,14-15H2,1H3,(H,26,28)
InChIKeyQTXVABJQYJMYMG-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.69
Rot. Bonds6

About N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide

N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide (PubChem CID 109199887) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
PubChem CID109199887
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccc(N4CCCC4)cc3)cn2)cc1
InChIInChI=1S/C23H24N4O2/c1-29-21-11-6-18(7-12-21)26-23(28)22-13-8-19(16-24-22)25-17-4-9-20(10-5-17)27-14-2-3-15-27/h4-13,16,25H,2-3,14-15H2,1H3,(H,26,28)
InChIKeyQTXVABJQYJMYMG-UHFFFAOYSA-N
XLogP4.69
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.69
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

5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109196895
5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109199047
2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109269659
5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109179591
N-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198795
N-(4-methoxyphenyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198703
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
CID 109200617
5-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109200601
N-(2-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199103
5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109196897
N-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-5-methoxypyridine-2-carboxamide
CID 142608157
N-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198157

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide (CID 109199887) is N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide is COc1ccc(NC(=O)c2ccc(Nc3ccc(N4CCCC4)cc3)cn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
The InChIKey is QTXVABJQYJMYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-29-21-11-6-18(7-12-21)26-23(28)22-13-8-19(16-24-22)25-17-4-9-20(10-5-17)27-14-2-3-15-27/h4-13,16,25H,2-3,14-15H2,1H3,(H,26,28).
What are the key properties of N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109199887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).