N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide

C17H21N3O — CID 113014989

IUPACN-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(N(Cc2ccccc2)C(C)C)nc1
InChIInChI=1S/C17H21N3O/c1-13(2)20(12-15-7-5-4-6-8-15)17-10-9-16(11-18-17)19-14(3)21/h4-11,13H,12H2,1-3H3,(H,19,21)
InChIKeyFNBDYWGQUWRQDA-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.45
Rot. Bonds5

About N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide

N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide (PubChem CID 113014989) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide
PubChem CID113014989
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(N(Cc2ccccc2)C(C)C)nc1
InChIInChI=1S/C17H21N3O/c1-13(2)20(12-15-7-5-4-6-8-15)17-10-9-16(11-18-17)19-14(3)21/h4-11,13H,12H2,1-3H3,(H,19,21)
InChIKeyFNBDYWGQUWRQDA-UHFFFAOYSA-N
XLogP3.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide
CID 113015015
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113014992
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113015034
6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109161100
5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide
CID 109287716
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113012566
6-[benzyl(propan-2-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109161118
1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea
CID 113012624
5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine
CID 80633350
N-(4-acetylphenyl)-6-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
CID 109354129
6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide
CID 109161088
4-[6-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109155012

Frequently Asked Questions

What is the IUPAC name of N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide?
The IUPAC name of N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide (CID 113014989) is N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide is CC(=O)Nc1ccc(N(Cc2ccccc2)C(C)C)nc1.
What is the InChIKey of N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide?
The InChIKey is FNBDYWGQUWRQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(2)20(12-15-7-5-4-6-8-15)17-10-9-16(11-18-17)19-14(3)21/h4-11,13H,12H2,1-3H3,(H,19,21).
What are the key properties of N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide?
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide has a molecular weight of 283.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide is sourced from PubChem (CID 113014989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).