N-[(4-methylphenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide

C24H26N4O — CID 109188702

IUPACN-[(4-methylphenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(Nc3ccc(N4CCCC4)cc3)cn2)cc1
InChIInChI=1S/C24H26N4O/c1-18-4-6-19(7-5-18)16-26-24(29)23-13-10-21(17-25-23)27-20-8-11-22(12-9-20)28-14-2-3-15-28/h4-13,17,27H,2-3,14-16H2,1H3,(H,26,29)
InChIKeyHUDIEPWNISPCIR-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.66
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide

N-[(4-methylphenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide (PubChem CID 109188702) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
PubChem CID109188702
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-[(4-methylphenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(Nc3ccc(N4CCCC4)cc3)cn2)cc1
InChIInChI=1S/C24H26N4O/c1-18-4-6-19(7-5-18)16-26-24(29)23-13-10-21(17-25-23)27-20-8-11-22(12-9-20)28-14-2-3-15-28/h4-13,17,27H,2-3,14-16H2,1H3,(H,26,29)
InChIKeyHUDIEPWNISPCIR-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
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

5-(4-acetylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188694
N-[2-(dimethylamino)ethyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109185416
5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109179591
5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188420
5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109199047
N-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109283603
N-(2-morpholin-4-ylethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109185754
N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
5-(2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188662
N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199887
5-anilino-N-benzylpyridine-2-carboxamide
CID 109187879
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide
CID 109179197

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide (CID 109188702) is N-[(4-methylphenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide is Cc1ccc(CNC(=O)c2ccc(Nc3ccc(N4CCCC4)cc3)cn2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
The InChIKey is HUDIEPWNISPCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-18-4-6-19(7-5-18)16-26-24(29)23-13-10-21(17-25-23)27-20-8-11-22(12-9-20)28-14-2-3-15-28/h4-13,17,27H,2-3,14-16H2,1H3,(H,26,29).
What are the key properties of N-[(4-methylphenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
N-[(4-methylphenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109188702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).