N-tert-butyl-2H-pyridine-1-carboxamide

C10H16N2O — CID 69162604

IUPACN-tert-butyl-2H-pyridine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1C=CC=CC1
InChIInChI=1S/C10H16N2O/c1-10(2,3)11-9(13)12-7-5-4-6-8-12/h4-7H,8H2,1-3H3,(H,11,13)
InChIKeyUYYFGIDYJGPUBU-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.88
Rot. Bonds

About N-tert-butyl-2H-pyridine-1-carboxamide

N-tert-butyl-2H-pyridine-1-carboxamide (PubChem CID 69162604) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-tert-butyl-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2H-pyridine-1-carboxamide
PubChem CID69162604
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-tert-butyl-2H-pyridine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1C=CC=CC1
InChIInChI=1S/C10H16N2O/c1-10(2,3)11-9(13)12-7-5-4-6-8-12/h4-7H,8H2,1-3H3,(H,11,13)
InChIKeyUYYFGIDYJGPUBU-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2H-pyridine-1-carboxamide?
The IUPAC name of N-tert-butyl-2H-pyridine-1-carboxamide (CID 69162604) is N-tert-butyl-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-2H-pyridine-1-carboxamide?
The canonical SMILES for N-tert-butyl-2H-pyridine-1-carboxamide is CC(C)(C)NC(=O)N1C=CC=CC1.
What is the InChIKey of N-tert-butyl-2H-pyridine-1-carboxamide?
The InChIKey is UYYFGIDYJGPUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-10(2,3)11-9(13)12-7-5-4-6-8-12/h4-7H,8H2,1-3H3,(H,11,13).
What are the key properties of N-tert-butyl-2H-pyridine-1-carboxamide?
N-tert-butyl-2H-pyridine-1-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2H-pyridine-1-carboxamide is sourced from PubChem (CID 69162604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).