5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide

C23H24N4O2 — CID 109245265

IUPAC5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(Nc2cncc(C(=O)Nc3ccc(N4CCCC4)cc3)c2)c1
InChIInChI=1S/C23H24N4O2/c1-29-22-6-4-5-19(14-22)25-20-13-17(15-24-16-20)23(28)26-18-7-9-21(10-8-18)27-11-2-3-12-27/h4-10,13-16,25H,2-3,11-12H2,1H3,(H,26,28)
InChIKeyPKTQNZKPKONZCY-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.69
Rot. Bonds6

About 5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide

5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 109245265) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
PubChem CID109245265
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(Nc2cncc(C(=O)Nc3ccc(N4CCCC4)cc3)c2)c1
InChIInChI=1S/C23H24N4O2/c1-29-22-6-4-5-19(14-22)25-20-13-17(15-24-16-20)23(28)26-18-7-9-21(10-8-18)27-11-2-3-12-27/h4-10,13-16,25H,2-3,11-12H2,1H3,(H,26,28)
InChIKeyPKTQNZKPKONZCY-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-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109246036
N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245082
5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109243207
5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245209
N-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109244496
5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109244617
N-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245269
N-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109246061
5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109246057
N-[4-(3-methoxyanilino)phenyl]pyridine-3-carboxamide
CID 112987448
N-(3-methoxyphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102944
N-(3-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227296

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide (CID 109245265) is 5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide is COc1cccc(Nc2cncc(C(=O)Nc3ccc(N4CCCC4)cc3)c2)c1.
What is the InChIKey of 5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is PKTQNZKPKONZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-29-22-6-4-5-19(14-22)25-20-13-17(15-24-16-20)23(28)26-18-7-9-21(10-8-18)27-11-2-3-12-27/h4-10,13-16,25H,2-3,11-12H2,1H3,(H,26,28).
What are the key properties of 5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-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 5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109245265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).