N-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide

C18H23N3O — CID 109189123

IUPACN-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(NC(C)(C)C)cn1
InChIInChI=1S/C18H23N3O/c1-18(2,3)20-15-10-11-16(19-12-15)17(22)21(4)13-14-8-6-5-7-9-14/h5-12,20H,13H2,1-4H3
InChIKeyCFVXKLSWZWQAJN-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.56
Rot. Bonds4

About N-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide

N-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide (PubChem CID 109189123) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide
PubChem CID109189123
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(NC(C)(C)C)cn1
InChIInChI=1S/C18H23N3O/c1-18(2,3)20-15-10-11-16(19-12-15)17(22)21(4)13-14-8-6-5-7-9-14/h5-12,20H,13H2,1-4H3
InChIKeyCFVXKLSWZWQAJN-UHFFFAOYSA-N
XLogP3.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide
CID 109190719
N-benzyl-5-[2-(dimethylamino)ethylamino]-N-methylpyridine-2-carboxamide
CID 109185471
N-benzyl-N-methyl-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109189121
6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427191
N-benzyl-5-(2,3-dimethylanilino)-N-methylpyridine-2-carboxamide
CID 109189147
N-benzyl-5-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide
CID 109189200
N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281082
N-benzyl-N-methyl-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109281071
5-(ethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 104639848
N-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide
CID 109186763
N-methyl-5-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
CID 104640243
N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide
CID 109281096

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide (CID 109189123) is N-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc(NC(C)(C)C)cn1.
What is the InChIKey of N-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide?
The InChIKey is CFVXKLSWZWQAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-18(2,3)20-15-10-11-16(19-12-15)17(22)21(4)13-14-8-6-5-7-9-14/h5-12,20H,13H2,1-4H3.
What are the key properties of N-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide?
N-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 109189123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).