2-amino-6-tert-butyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide

C16H27N3O — CID 106331302

IUPAC2-amino-6-tert-butyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
SMILESCCC(C)(CC)NC(=O)c1cc(N)nc(C(C)(C)C)c1
InChIInChI=1S/C16H27N3O/c1-7-16(6,8-2)19-14(20)11-9-12(15(3,4)5)18-13(17)10-11/h9-10H,7-8H2,1-6H3,(H2,17,18)(H,19,20)
InChIKeyTUFIXNGFKFVHNS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.27
Rot. Bonds4

About 2-amino-6-tert-butyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide

2-amino-6-tert-butyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide (PubChem CID 106331302) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-amino-6-tert-butyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-tert-butyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
PubChem CID106331302
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-amino-6-tert-butyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
SMILESCCC(C)(CC)NC(=O)c1cc(N)nc(C(C)(C)C)c1
InChIInChI=1S/C16H27N3O/c1-7-16(6,8-2)19-14(20)11-9-12(15(3,4)5)18-13(17)10-11/h9-10H,7-8H2,1-6H3,(H2,17,18)(H,19,20)
InChIKeyTUFIXNGFKFVHNS-UHFFFAOYSA-N
XLogP3.27
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-tert-butyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-tert-butyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide (CID 106331302) is 2-amino-6-tert-butyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-tert-butyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-tert-butyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide is CCC(C)(CC)NC(=O)c1cc(N)nc(C(C)(C)C)c1.
What is the InChIKey of 2-amino-6-tert-butyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide?
The InChIKey is TUFIXNGFKFVHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-7-16(6,8-2)19-14(20)11-9-12(15(3,4)5)18-13(17)10-11/h9-10H,7-8H2,1-6H3,(H2,17,18)(H,19,20).
What are the key properties of 2-amino-6-tert-butyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide?
2-amino-6-tert-butyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-tert-butyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 106331302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).