N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide

C23H26N4O — CID 109246001

IUPACN-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide
SMILESCCN(c1cccc(C)c1)c1cncc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C23H26N4O/c1-5-27(21-8-6-7-17(2)13-21)22-14-18(15-24-16-22)23(28)25-19-9-11-20(12-10-19)26(3)4/h6-16H,5H2,1-4H3,(H,25,28)
InChIKeyQTWPRCHZHICVTQ-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.87
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide

N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide (PubChem CID 109246001) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide
PubChem CID109246001
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide
SMILESCCN(c1cccc(C)c1)c1cncc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C23H26N4O/c1-5-27(21-8-6-7-17(2)13-21)22-14-18(15-24-16-22)23(28)25-19-9-11-20(12-10-19)26(3)4/h6-16H,5H2,1-4H3,(H,25,28)
InChIKeyQTWPRCHZHICVTQ-UHFFFAOYSA-N
XLogP4.87
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
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-(3-chloro-4-methoxyphenyl)-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide
CID 109245017
N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyrazine-2-carboxamide
CID 109294256
5-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109245566
methyl 2-[[5-(N-ethyl-3-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245916
N-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide
CID 109241081
2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265763
N-(4-acetylphenyl)-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109200389
5-(diethylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109238900
N-(3-acetamidophenyl)-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109243646
N-[4-(dimethylamino)phenyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242872
N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide
CID 8761945
N-(3,4-dimethoxyphenyl)-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109243640

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide (CID 109246001) is N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide is CCN(c1cccc(C)c1)c1cncc(C(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide?
The InChIKey is QTWPRCHZHICVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-5-27(21-8-6-7-17(2)13-21)22-14-18(15-24-16-22)23(28)25-19-9-11-20(12-10-19)26(3)4/h6-16H,5H2,1-4H3,(H,25,28).
What are the key properties of N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide?
N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109246001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).