2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide

C22H24N4O — CID 109169807

IUPAC2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2ccnc(Nc3ccc(N(C)C)cc3)c2)c1
InChIInChI=1S/C22H24N4O/c1-16-5-4-6-17(13-16)15-24-22(27)18-11-12-23-21(14-18)25-19-7-9-20(10-8-19)26(2)3/h4-14H,15H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyDSVHUYWYXABZBD-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.13
Rot. Bonds6

About 2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide

2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 109169807) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
PubChem CID109169807
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2ccnc(Nc3ccc(N(C)C)cc3)c2)c1
InChIInChI=1S/C22H24N4O/c1-16-5-4-6-17(13-16)15-24-22(27)18-11-12-23-21(14-18)25-19-7-9-20(10-8-19)26(2)3/h4-14H,15H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyDSVHUYWYXABZBD-UHFFFAOYSA-N
XLogP4.13
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.13
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-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169821
N-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide
CID 109170914
N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109169793
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide
CID 109171410
methyl 3-[[4-[(3-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109169805
2-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 62235984
2-[3-(dimethylamino)anilino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117092673
2-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169816
2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109175218
N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide
CID 109169454
2-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172767
4-N-[3-(dimethylamino)propyl]-2-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083872

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide (CID 109169807) is 2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide is Cc1cccc(CNC(=O)c2ccnc(Nc3ccc(N(C)C)cc3)c2)c1.
What is the InChIKey of 2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is DSVHUYWYXABZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-5-4-6-17(13-16)15-24-22(27)18-11-12-23-21(14-18)25-19-7-9-20(10-8-19)26(2)3/h4-14H,15H2,1-3H3,(H,23,25)(H,24,27).
What are the key properties of 2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide?
2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 109169807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).