N-tert-butyl-2,2,4,4-tetramethyl-N'-(5-methyl-2-pyridinyl)pentanediamide

C19H31N3O2 — CID 144871417

IUPACN-tert-butyl-2,2,4,4-tetramethyl-N'-(5-methyl-2-pyridinyl)pentanediamide
SMILESCc1ccc(NC(=O)C(C)(C)CC(C)(C)C(=O)NC(C)(C)C)nc1
InChIInChI=1S/C19H31N3O2/c1-13-9-10-14(20-11-13)21-15(23)18(5,6)12-19(7,8)16(24)22-17(2,3)4/h9-11H,12H2,1-8H3,(H,22,24)(H,20,21,23)
InChIKeyUZYBDRSKBMURMB-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.69
Rot. Bonds5

About N-tert-butyl-2,2,4,4-tetramethyl-N'-(5-methyl-2-pyridinyl)pentanediamide

N-tert-butyl-2,2,4,4-tetramethyl-N'-(5-methyl-2-pyridinyl)pentanediamide (PubChem CID 144871417) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-tert-butyl-2,2,4,4-tetramethyl-N'-(5-methyl-2-pyridinyl)pentanediamide.

Molecular Properties

Compound NameN-tert-butyl-2,2,4,4-tetramethyl-N'-(5-methyl-2-pyridinyl)pentanediamide
PubChem CID144871417
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-tert-butyl-2,2,4,4-tetramethyl-N'-(5-methyl-2-pyridinyl)pentanediamide
SMILESCc1ccc(NC(=O)C(C)(C)CC(C)(C)C(=O)NC(C)(C)C)nc1
InChIInChI=1S/C19H31N3O2/c1-13-9-10-14(20-11-13)21-15(23)18(5,6)12-19(7,8)16(24)22-17(2,3)4/h9-11H,12H2,1-8H3,(H,22,24)(H,20,21,23)
InChIKeyUZYBDRSKBMURMB-UHFFFAOYSA-N
XLogP3.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2,4,4-tetramethyl-N'-(5-methyl-2-pyridinyl)pentanediamide?
The IUPAC name of N-tert-butyl-2,2,4,4-tetramethyl-N'-(5-methyl-2-pyridinyl)pentanediamide (CID 144871417) is N-tert-butyl-2,2,4,4-tetramethyl-N'-(5-methyl-2-pyridinyl)pentanediamide.
What is the SMILES notation for N-tert-butyl-2,2,4,4-tetramethyl-N'-(5-methyl-2-pyridinyl)pentanediamide?
The canonical SMILES for N-tert-butyl-2,2,4,4-tetramethyl-N'-(5-methyl-2-pyridinyl)pentanediamide is Cc1ccc(NC(=O)C(C)(C)CC(C)(C)C(=O)NC(C)(C)C)nc1.
What is the InChIKey of N-tert-butyl-2,2,4,4-tetramethyl-N'-(5-methyl-2-pyridinyl)pentanediamide?
The InChIKey is UZYBDRSKBMURMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-13-9-10-14(20-11-13)21-15(23)18(5,6)12-19(7,8)16(24)22-17(2,3)4/h9-11H,12H2,1-8H3,(H,22,24)(H,20,21,23).
What are the key properties of N-tert-butyl-2,2,4,4-tetramethyl-N'-(5-methyl-2-pyridinyl)pentanediamide?
N-tert-butyl-2,2,4,4-tetramethyl-N'-(5-methyl-2-pyridinyl)pentanediamide has a molecular weight of 333.48 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2,4,4-tetramethyl-N'-(5-methyl-2-pyridinyl)pentanediamide is sourced from PubChem (CID 144871417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).