N-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide

C17H21N3O2 — CID 109195102

IUPACN-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NC(C)(C)C)nc2)cc1
InChIInChI=1S/C17H21N3O2/c1-17(2,3)20-16(21)15-10-7-13(11-18-15)19-12-5-8-14(22-4)9-6-12/h5-11,19H,1-4H3,(H,20,21)
InChIKeyWZNHGCPCVRRLKD-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.36
Rot. Bonds4

About N-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide

N-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide (PubChem CID 109195102) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide
PubChem CID109195102
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NC(C)(C)C)nc2)cc1
InChIInChI=1S/C17H21N3O2/c1-17(2,3)20-16(21)15-10-7-13(11-18-15)19-12-5-8-14(22-4)9-6-12/h5-11,19H,1-4H3,(H,20,21)
InChIKeyWZNHGCPCVRRLKD-UHFFFAOYSA-N
XLogP3.36
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198795
N-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198157
N-cyclopentyl-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109182280
N-(2,6-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198223
N-(4-methoxyphenyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198703
N-tert-butyl-5-hydrazinylpyridine-2-carboxamide
CID 104642324
5-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109199921
5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191251
N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199887
N-tert-butyl-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109195085
5-(3-chloro-4-methoxyanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199601
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109199937

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide (CID 109195102) is N-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide is COc1ccc(Nc2ccc(C(=O)NC(C)(C)C)nc2)cc1.
What is the InChIKey of N-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide?
The InChIKey is WZNHGCPCVRRLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-17(2,3)20-16(21)15-10-7-13(11-18-15)19-12-5-8-14(22-4)9-6-12/h5-11,19H,1-4H3,(H,20,21).
What are the key properties of N-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide?
N-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109195102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).