N-tert-butyl-3-methylpyridine-2-carboxamide

C11H16N2O — CID 5463796

IUPACN-tert-butyl-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC(C)(C)C
InChIInChI=1S/C11H16N2O/c1-8-6-5-7-12-9(8)10(14)13-11(2,3)4/h5-7H,1-4H3,(H,13,14)
InChIKeyXYBOIZQGIVYRFV-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.92
Rot. Bonds1

About N-tert-butyl-3-methylpyridine-2-carboxamide

N-tert-butyl-3-methylpyridine-2-carboxamide (PubChem CID 5463796) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-tert-butyl-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-methylpyridine-2-carboxamide
PubChem CID5463796
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-tert-butyl-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC(C)(C)C
InChIInChI=1S/C11H16N2O/c1-8-6-5-7-12-9(8)10(14)13-11(2,3)4/h5-7H,1-4H3,(H,13,14)
InChIKeyXYBOIZQGIVYRFV-UHFFFAOYSA-N
XLogP1.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methylpyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-3-methylpyridine-2-carboxamide (CID 5463796) is N-tert-butyl-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-methylpyridine-2-carboxamide?
The InChIKey is XYBOIZQGIVYRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-6-5-7-12-9(8)10(14)13-11(2,3)4/h5-7H,1-4H3,(H,13,14).
What are the key properties of N-tert-butyl-3-methylpyridine-2-carboxamide?
N-tert-butyl-3-methylpyridine-2-carboxamide has a molecular weight of 192.26 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 5463796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).