N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide

C22H24N4O — CID 109219981

IUPACN-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide
SMILESCc1cc(C)cc(Nc2ccnc(C(=O)Nc3ccc(N(C)C)cc3)c2)c1
InChIInChI=1S/C22H24N4O/c1-15-11-16(2)13-19(12-15)24-18-9-10-23-21(14-18)22(27)25-17-5-7-20(8-6-17)26(3)4/h5-14H,1-4H3,(H,23,24)(H,25,27)
InChIKeyHQFDQOMZXNVHCL-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.76
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide

N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide (PubChem CID 109219981) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide
PubChem CID109219981
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide
SMILESCc1cc(C)cc(Nc2ccnc(C(=O)Nc3ccc(N(C)C)cc3)c2)c1
InChIInChI=1S/C22H24N4O/c1-15-11-16(2)13-19(12-15)24-18-9-10-23-21(14-18)22(27)25-17-5-7-20(8-6-17)26(3)4/h5-14H,1-4H3,(H,23,24)(H,25,27)
InChIKeyHQFDQOMZXNVHCL-UHFFFAOYSA-N
XLogP4.76
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.76
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

4-(3,5-dimethylanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219210
4-[4-(dimethylamino)anilino]-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109220014
4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109222335
4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219248
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109219984
N-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203188
4-(1,3-benzodioxol-5-ylamino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219950
4-(4-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218739
4-(methylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62166966
N-[4-(dimethylamino)phenyl]-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208013
2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109092885
methyl 3-[[4-(3,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109219979

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide (CID 109219981) is N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide is Cc1cc(C)cc(Nc2ccnc(C(=O)Nc3ccc(N(C)C)cc3)c2)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide?
The InChIKey is HQFDQOMZXNVHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-11-16(2)13-19(12-15)24-18-9-10-23-21(14-18)22(27)25-17-5-7-20(8-6-17)26(3)4/h5-14H,1-4H3,(H,23,24)(H,25,27).
What are the key properties of N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide?
N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109219981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).