5-[4-(dimethylamino)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide

C18H24N4O — CID 109181155

IUPAC5-[4-(dimethylamino)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(Nc2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C18H24N4O/c1-13(2)11-20-18(23)17-10-7-15(12-19-17)21-14-5-8-16(9-6-14)22(3)4/h5-10,12-13,21H,11H2,1-4H3,(H,20,23)
InChIKeyANYKHFJMSMMMES-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.28
Rot. Bonds6

About 5-[4-(dimethylamino)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide

5-[4-(dimethylamino)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 109181155) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-[4-(dimethylamino)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(dimethylamino)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID109181155
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5-[4-(dimethylamino)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(Nc2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C18H24N4O/c1-13(2)11-20-18(23)17-10-7-15(12-19-17)21-14-5-8-16(9-6-14)22(3)4/h5-10,12-13,21H,11H2,1-4H3,(H,20,23)
InChIKeyANYKHFJMSMMMES-UHFFFAOYSA-N
XLogP3.28
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.28
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-(2-methylpropyl)pyridine-2-carboxamide
CID 109181147
5-(4-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181136
5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181120
5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide
CID 109194672
5-(1,3-benzodioxol-5-ylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181171
N-cyclopropyl-5-[4-(dimethylamino)anilino]pyridine-2-carboxamide
CID 109179984
5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181080
5-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109200559
5-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181135
N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109181042
5-[2-(4-fluorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181046
5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181187

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-[4-(dimethylamino)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide (CID 109181155) is 5-[4-(dimethylamino)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(dimethylamino)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[4-(dimethylamino)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide is CC(C)CNC(=O)c1ccc(Nc2ccc(N(C)C)cc2)cn1.
What is the InChIKey of 5-[4-(dimethylamino)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is ANYKHFJMSMMMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13(2)11-20-18(23)17-10-7-15(12-19-17)21-14-5-8-16(9-6-14)22(3)4/h5-10,12-13,21H,11H2,1-4H3,(H,20,23).
What are the key properties of 5-[4-(dimethylamino)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide?
5-[4-(dimethylamino)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109181155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).