N-tert-butyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide

C19H25N3O — CID 109216858

IUPACN-tert-butyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide
SMILESCc1cc(C)c(Nc2ccnc(C(=O)NC(C)(C)C)c2)c(C)c1
InChIInChI=1S/C19H25N3O/c1-12-9-13(2)17(14(3)10-12)21-15-7-8-20-16(11-15)18(23)22-19(4,5)6/h7-11H,1-6H3,(H,20,21)(H,22,23)
InChIKeyVKDHOTAILDURSE-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.28
Rot. Bonds3

About N-tert-butyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide

N-tert-butyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide (PubChem CID 109216858) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-tert-butyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide
PubChem CID109216858
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-tert-butyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide
SMILESCc1cc(C)c(Nc2ccnc(C(=O)NC(C)(C)C)c2)c(C)c1
InChIInChI=1S/C19H25N3O/c1-12-9-13(2)17(14(3)10-12)21-15-7-8-20-16(11-15)18(23)22-19(4,5)6/h7-11H,1-6H3,(H,20,21)(H,22,23)
InChIKeyVKDHOTAILDURSE-UHFFFAOYSA-N
XLogP4.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109204088
N-tert-butyl-4-hydrazinylpyridine-2-carboxamide
CID 62238108
4-(4-acetylanilino)-N-tert-butylpyridine-2-carboxamide
CID 109216893
methyl 4-[[4-(2,4,6-trimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109220533
4-anilino-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109218850
N-tert-butyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109287251
4-(2-bromoanilino)-N-tert-butylpyridine-2-carboxamide
CID 109216912
4-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202969
N-tert-butyl-4-(2-methoxyanilino)pyridine-2-carboxamide
CID 109216878
N-tert-butyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109262869
4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109201591
4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109216969

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide (CID 109216858) is N-tert-butyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide is Cc1cc(C)c(Nc2ccnc(C(=O)NC(C)(C)C)c2)c(C)c1.
What is the InChIKey of N-tert-butyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide?
The InChIKey is VKDHOTAILDURSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-12-9-13(2)17(14(3)10-12)21-15-7-8-20-16(11-15)18(23)22-19(4,5)6/h7-11H,1-6H3,(H,20,21)(H,22,23).
What are the key properties of N-tert-butyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide?
N-tert-butyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109216858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).