5-amino-N-[4-(tert-butylcarbamoyl)phenyl]-N-methylpyridine-2-carboxamide

C18H22N4O2 — CID 167832314

IUPAC5-amino-N-[4-(tert-butylcarbamoyl)phenyl]-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(N)cn1)c1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C18H22N4O2/c1-18(2,3)21-16(23)12-5-8-14(9-6-12)22(4)17(24)15-10-7-13(19)11-20-15/h5-11H,19H2,1-4H3,(H,21,23)
InChIKeyVNWCYGRTTOGGSL-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.47
Rot. Bonds3

About 5-amino-N-[4-(tert-butylcarbamoyl)phenyl]-N-methylpyridine-2-carboxamide

5-amino-N-[4-(tert-butylcarbamoyl)phenyl]-N-methylpyridine-2-carboxamide (PubChem CID 167832314) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-amino-N-[4-(tert-butylcarbamoyl)phenyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[4-(tert-butylcarbamoyl)phenyl]-N-methylpyridine-2-carboxamide
PubChem CID167832314
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-amino-N-[4-(tert-butylcarbamoyl)phenyl]-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(N)cn1)c1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C18H22N4O2/c1-18(2,3)21-16(23)12-5-8-14(9-6-12)22(4)17(24)15-10-7-13(19)11-20-15/h5-11H,19H2,1-4H3,(H,21,23)
InChIKeyVNWCYGRTTOGGSL-UHFFFAOYSA-N
XLogP2.47
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminophenyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908272
5-amino-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide
CID 81316054
6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 62004228
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-tert-butylbenzamide;hydrochloride
CID 120619858
5-amino-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 81319675
5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2-carboxamide
CID 83107440
5-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpyridine-2-carboxamide
CID 76979547
4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048526
5-amino-N-[(4-carbamoylphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81310441
5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide
CID 81317064
N-tert-butyl-5-[butyl(methyl)amino]pyridine-2-carboxamide
CID 109195052
5-(4-acetylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197604

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(tert-butylcarbamoyl)phenyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-amino-N-[4-(tert-butylcarbamoyl)phenyl]-N-methylpyridine-2-carboxamide (CID 167832314) is 5-amino-N-[4-(tert-butylcarbamoyl)phenyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[4-(tert-butylcarbamoyl)phenyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-[4-(tert-butylcarbamoyl)phenyl]-N-methylpyridine-2-carboxamide is CN(C(=O)c1ccc(N)cn1)c1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of 5-amino-N-[4-(tert-butylcarbamoyl)phenyl]-N-methylpyridine-2-carboxamide?
The InChIKey is VNWCYGRTTOGGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-18(2,3)21-16(23)12-5-8-14(9-6-12)22(4)17(24)15-10-7-13(19)11-20-15/h5-11H,19H2,1-4H3,(H,21,23).
What are the key properties of 5-amino-N-[4-(tert-butylcarbamoyl)phenyl]-N-methylpyridine-2-carboxamide?
5-amino-N-[4-(tert-butylcarbamoyl)phenyl]-N-methylpyridine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-(tert-butylcarbamoyl)phenyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 167832314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).