N-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide

C12H18N2O — CID 129189538

IUPACN-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide
SMILESCCC(C)(C)c1ccnc(C(=O)NC)c1
InChIInChI=1S/C12H18N2O/c1-5-12(2,3)9-6-7-14-10(8-9)11(15)13-4/h6-8H,5H2,1-4H3,(H,13,15)
InChIKeyLEEGVYXFGQUNFI-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.13
Rot. Bonds3

About N-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide

N-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide (PubChem CID 129189538) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide
PubChem CID129189538
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide
SMILESCCC(C)(C)c1ccnc(C(=O)NC)c1
InChIInChI=1S/C12H18N2O/c1-5-12(2,3)9-6-7-14-10(8-9)11(15)13-4/h6-8H,5H2,1-4H3,(H,13,15)
InChIKeyLEEGVYXFGQUNFI-UHFFFAOYSA-N
XLogP2.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide
CID 113283242
4-[4-(2,3-dimethylpent-1-en-3-yl)phenoxy]-N-methylpyridine-2-carboxamide
CID 123648832
N-[4-(2-methylbutan-2-yl)-2-pyridinyl]acetamide
CID 138525024
2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 61264748
N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 62665007
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 114155484
4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 105058494
4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 43517715
4-[(2-ethylphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 64695920
4-(2-ethoxyethylamino)-N-methylpyridine-2-carboxamide
CID 43591225
4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide
CID 114149238
4-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridine-2-carboxamide
CID 60926875

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide (CID 129189538) is N-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide is CCC(C)(C)c1ccnc(C(=O)NC)c1.
What is the InChIKey of N-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide?
The InChIKey is LEEGVYXFGQUNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-5-12(2,3)9-6-7-14-10(8-9)11(15)13-4/h6-8H,5H2,1-4H3,(H,13,15).
What are the key properties of N-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide?
N-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide has a molecular weight of 206.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 129189538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).