2-[(4-methylphenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide

C24H26N4O — CID 109170032

IUPAC2-[(4-methylphenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
SMILESCc1ccc(CNc2cc(C(=O)Nc3ccc(N4CCCC4)cc3)ccn2)cc1
InChIInChI=1S/C24H26N4O/c1-18-4-6-19(7-5-18)17-26-23-16-20(12-13-25-23)24(29)27-21-8-10-22(11-9-21)28-14-2-3-15-28/h4-13,16H,2-3,14-15,17H2,1H3,(H,25,26)(H,27,29)
InChIKeyLNHZIJGQCMKZRW-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.85
Rot. Bonds6

About 2-[(4-methylphenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide

2-[(4-methylphenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide (PubChem CID 109170032) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
PubChem CID109170032
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2-[(4-methylphenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
SMILESCc1ccc(CNc2cc(C(=O)Nc3ccc(N4CCCC4)cc3)ccn2)cc1
InChIInChI=1S/C24H26N4O/c1-18-4-6-19(7-5-18)17-26-23-16-20(12-13-25-23)24(29)27-21-8-10-22(11-9-21)28-14-2-3-15-28/h4-13,16H,2-3,14-15,17H2,1H3,(H,25,26)(H,27,29)
InChIKeyLNHZIJGQCMKZRW-UHFFFAOYSA-N
XLogP4.85
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166955
N-(3-acetamidophenyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109170025
2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109178731
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109168800
2-amino-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 110862205
2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109173853
N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide
CID 109178749
6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109346582
4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]-N-(4-methylphenyl)benzamide
CID 46374719
2-(dipropylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109175938

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[(4-methylphenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide (CID 109170032) is 2-[(4-methylphenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(4-methylphenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(4-methylphenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide is Cc1ccc(CNc2cc(C(=O)Nc3ccc(N4CCCC4)cc3)ccn2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
The InChIKey is LNHZIJGQCMKZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-18-4-6-19(7-5-18)17-26-23-16-20(12-13-25-23)24(29)27-21-8-10-22(11-9-21)28-14-2-3-15-28/h4-13,16H,2-3,14-15,17H2,1H3,(H,25,26)(H,27,29).
What are the key properties of 2-[(4-methylphenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
2-[(4-methylphenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109170032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).