N-tert-butylpyridine-4-carboxamide

C10H14N2O — CID 771530

IUPACN-tert-butylpyridine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1ccncc1
InChIInChI=1S/C10H14N2O/c1-10(2,3)12-9(13)8-4-6-11-7-5-8/h4-7H,1-3H3,(H,12,13)
InChIKeyPKBWFGLUBMOFKU-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.61
Rot. Bonds1

About N-tert-butylpyridine-4-carboxamide

N-tert-butylpyridine-4-carboxamide (PubChem CID 771530) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is N-tert-butylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butylpyridine-4-carboxamide
PubChem CID771530
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC NameN-tert-butylpyridine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1ccncc1
InChIInChI=1S/C10H14N2O/c1-10(2,3)12-9(13)8-4-6-11-7-5-8/h4-7H,1-3H3,(H,12,13)
InChIKeyPKBWFGLUBMOFKU-UHFFFAOYSA-N
XLogP1.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Nicotinamide
CID 936
Isoniazid
CID 3767
Milrinone
CID 4197
Amrinone
CID 3698
Iproniazid
CID 3748
N'-Methylnicotinamide
CID 64950
N,N-Diethylnicotinamide
CID 5497
Isonicotinamide
CID 15074
1-Methylnicotinamide
CID 457
Iproniazid Phosphate
CID 9367
Acetylisoniazid
CID 71602
4-Acetylpyridine
CID 14282

Frequently Asked Questions

What is the IUPAC name of N-tert-butylpyridine-4-carboxamide?
The IUPAC name of N-tert-butylpyridine-4-carboxamide (CID 771530) is N-tert-butylpyridine-4-carboxamide.
What is the SMILES notation for N-tert-butylpyridine-4-carboxamide?
The canonical SMILES for N-tert-butylpyridine-4-carboxamide is CC(C)(C)NC(=O)c1ccncc1.
What is the InChIKey of N-tert-butylpyridine-4-carboxamide?
The InChIKey is PKBWFGLUBMOFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-10(2,3)12-9(13)8-4-6-11-7-5-8/h4-7H,1-3H3,(H,12,13).
What are the key properties of N-tert-butylpyridine-4-carboxamide?
N-tert-butylpyridine-4-carboxamide has a molecular weight of 178.24 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylpyridine-4-carboxamide is sourced from PubChem (CID 771530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).