N-tert-butyl-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide

C20H27N3O — CID 109195082

IUPACN-tert-butyl-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCc1cccc(C(C)C)c1Nc1ccc(C(=O)NC(C)(C)C)nc1
InChIInChI=1S/C20H27N3O/c1-13(2)16-9-7-8-14(3)18(16)22-15-10-11-17(21-12-15)19(24)23-20(4,5)6/h7-13,22H,1-6H3,(H,23,24)
InChIKeyPXBURCOGRNAUSW-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.79
Rot. Bonds4

About N-tert-butyl-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide

N-tert-butyl-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide (PubChem CID 109195082) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-tert-butyl-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide
PubChem CID109195082
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-tert-butyl-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCc1cccc(C(C)C)c1Nc1ccc(C(=O)NC(C)(C)C)nc1
InChIInChI=1S/C20H27N3O/c1-13(2)16-9-7-8-14(3)18(16)22-15-10-11-17(21-12-15)19(24)23-20(4,5)6/h7-13,22H,1-6H3,(H,23,24)
InChIKeyPXBURCOGRNAUSW-UHFFFAOYSA-N
XLogP4.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methyl-6-propan-2-ylanilino)-N-propylpyridine-2-carboxamide
CID 109179150
N-[2-(dimethylamino)ethyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide
CID 109185373
2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
CID 1312773
N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide
CID 113032871
N-[2,6-di(propan-2-yl)phenyl]-5-(propylamino)pyridine-2-carboxamide
CID 109179407
ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate
CID 113032879
N-tert-butyl-5-hydrazinylpyridine-2-carboxamide
CID 104642324
N-tert-butyl-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109195085
N-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128294
N-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109195102
5-(diethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109194754
[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186401

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide (CID 109195082) is N-tert-butyl-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide is Cc1cccc(C(C)C)c1Nc1ccc(C(=O)NC(C)(C)C)nc1.
What is the InChIKey of N-tert-butyl-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide?
The InChIKey is PXBURCOGRNAUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-13(2)16-9-7-8-14(3)18(16)22-15-10-11-17(21-12-15)19(24)23-20(4,5)6/h7-13,22H,1-6H3,(H,23,24).
What are the key properties of N-tert-butyl-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide?
N-tert-butyl-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109195082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).