5-(benzylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide

C21H22N4O — CID 109188090

IUPAC5-(benzylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(NCc3ccccc3)cn2)cc1
InChIInChI=1S/C21H22N4O/c1-25(2)19-11-8-17(9-12-19)24-21(26)20-13-10-18(15-23-20)22-14-16-6-4-3-5-7-16/h3-13,15,22H,14H2,1-2H3,(H,24,26)
InChIKeyWYPUVSZYCSJGHG-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.01
Rot. Bonds6

About 5-(benzylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide

5-(benzylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide (PubChem CID 109188090) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-(benzylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(benzylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
PubChem CID109188090
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name5-(benzylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(NCc3ccccc3)cn2)cc1
InChIInChI=1S/C21H22N4O/c1-25(2)19-11-8-17(9-12-19)24-21(26)20-13-10-18(15-23-20)22-14-16-6-4-3-5-7-16/h3-13,15,22H,14H2,1-2H3,(H,24,26)
InChIKeyWYPUVSZYCSJGHG-UHFFFAOYSA-N
XLogP4.01
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.01
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

N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189803
5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109188091
N-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190538
5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109188122
N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109184150
2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide
CID 4165025
5-(benzylamino)-N-(3-bromophenyl)pyridine-2-carboxamide
CID 109188098
5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109188107
5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109188045
N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305595
N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191420
N-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191642

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-(benzylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide (CID 109188090) is 5-(benzylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(benzylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(benzylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide is CN(C)c1ccc(NC(=O)c2ccc(NCc3ccccc3)cn2)cc1.
What is the InChIKey of 5-(benzylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is WYPUVSZYCSJGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-25(2)19-11-8-17(9-12-19)24-21(26)20-13-10-18(15-23-20)22-14-16-6-4-3-5-7-16/h3-13,15,22H,14H2,1-2H3,(H,24,26).
What are the key properties of 5-(benzylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
5-(benzylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109188090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).