2-(5-amino-2-pyridinyl)-N-benzyl-N-butan-2-ylacetamide

C18H23N3O — CID 120618159

IUPAC2-(5-amino-2-pyridinyl)-N-benzyl-N-butan-2-ylacetamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)Cc1ccc(N)cn1
InChIInChI=1S/C18H23N3O/c1-3-14(2)21(13-15-7-5-4-6-8-15)18(22)11-17-10-9-16(19)12-20-17/h4-10,12,14H,3,11,13,19H2,1-2H3
InChIKeySUDYRTUPCGOPAC-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.03
Rot. Bonds6

About 2-(5-amino-2-pyridinyl)-N-benzyl-N-butan-2-ylacetamide

2-(5-amino-2-pyridinyl)-N-benzyl-N-butan-2-ylacetamide (PubChem CID 120618159) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-benzyl-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-benzyl-N-butan-2-ylacetamide
PubChem CID120618159
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-(5-amino-2-pyridinyl)-N-benzyl-N-butan-2-ylacetamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)Cc1ccc(N)cn1
InChIInChI=1S/C18H23N3O/c1-3-14(2)21(13-15-7-5-4-6-8-15)18(22)11-17-10-9-16(19)12-20-17/h4-10,12,14H,3,11,13,19H2,1-2H3
InChIKeySUDYRTUPCGOPAC-UHFFFAOYSA-N
XLogP3.03
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-2-pyridinyl)-N-benzyl-N-(1-cyclopropylethyl)acetamide;hydrochloride
CID 120617047
2-(5-amino-2-pyridinyl)-N-ethyl-N-propan-2-ylacetamide;hydrochloride
CID 120620159
benzyl(butan-2-yl)carbamic acid
CID 18954164
N-benzyl-N-butan-2-ylbutanamide
CID 60717440
2-(5-amino-2-pyridinyl)-N,N-diethylacetamide;hydrochloride
CID 120616165
2-(5-amino-2-pyridinyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 107339531
N-benzyl-N-butan-2-ylpentanamide
CID 78842113
N-(5-amino-2-pyridinyl)-N-ethyl-2-phenylacetamide
CID 115268143
2-(5-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 107337647
2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
CID 120617349
2-(5-amino-2-pyridinyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]acetamide;hydrochloride
CID 120621354
2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide
CID 107337332

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-benzyl-N-butan-2-ylacetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-benzyl-N-butan-2-ylacetamide (CID 120618159) is 2-(5-amino-2-pyridinyl)-N-benzyl-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-benzyl-N-butan-2-ylacetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-benzyl-N-butan-2-ylacetamide is CCC(C)N(Cc1ccccc1)C(=O)Cc1ccc(N)cn1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-benzyl-N-butan-2-ylacetamide?
The InChIKey is SUDYRTUPCGOPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-14(2)21(13-15-7-5-4-6-8-15)18(22)11-17-10-9-16(19)12-20-17/h4-10,12,14H,3,11,13,19H2,1-2H3.
What are the key properties of 2-(5-amino-2-pyridinyl)-N-benzyl-N-butan-2-ylacetamide?
2-(5-amino-2-pyridinyl)-N-benzyl-N-butan-2-ylacetamide has a molecular weight of 297.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-benzyl-N-butan-2-ylacetamide is sourced from PubChem (CID 120618159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).