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

C17H21N3O2 — CID 109216878

IUPACN-tert-butyl-4-(2-methoxyanilino)pyridine-2-carboxamide
SMILESCOc1ccccc1Nc1ccnc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H21N3O2/c1-17(2,3)20-16(21)14-11-12(9-10-18-14)19-13-7-5-6-8-15(13)22-4/h5-11H,1-4H3,(H,18,19)(H,20,21)
InChIKeyBOUKRECTWAAUTM-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.36
Rot. Bonds4

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

N-tert-butyl-4-(2-methoxyanilino)pyridine-2-carboxamide (PubChem CID 109216878) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-tert-butyl-4-(2-methoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2-methoxyanilino)pyridine-2-carboxamide
PubChem CID109216878
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-tert-butyl-4-(2-methoxyanilino)pyridine-2-carboxamide
SMILESCOc1ccccc1Nc1ccnc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H21N3O2/c1-17(2,3)20-16(21)14-11-12(9-10-18-14)19-13-7-5-6-8-15(13)22-4/h5-11H,1-4H3,(H,18,19)(H,20,21)
InChIKeyBOUKRECTWAAUTM-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

4-(2-bromoanilino)-N-tert-butylpyridine-2-carboxamide
CID 109216912
N-(4-chloro-2-methylphenyl)-4-(2-methoxyanilino)pyridine-2-carboxamide
CID 109221193
N-tert-butyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109373828
4-(2-ethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211987
N-tert-butyl-4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348177
N-tert-butyl-4-hydrazinylpyridine-2-carboxamide
CID 62238108
N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219056
N-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210827
4-(2,5-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109221555
4-(2-ethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214285
4-(4-acetylanilino)-N-tert-butylpyridine-2-carboxamide
CID 109216893
N-tert-butyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109216858

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-methoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-4-(2-methoxyanilino)pyridine-2-carboxamide (CID 109216878) is N-tert-butyl-4-(2-methoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(2-methoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-4-(2-methoxyanilino)pyridine-2-carboxamide is COc1ccccc1Nc1ccnc(C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-4-(2-methoxyanilino)pyridine-2-carboxamide?
The InChIKey is BOUKRECTWAAUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-17(2,3)20-16(21)14-11-12(9-10-18-14)19-13-7-5-6-8-15(13)22-4/h5-11H,1-4H3,(H,18,19)(H,20,21).
What are the key properties of N-tert-butyl-4-(2-methoxyanilino)pyridine-2-carboxamide?
N-tert-butyl-4-(2-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-4-(2-methoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109216878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).