N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide

C18H23N3O — CID 113012566

IUPACN-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide
SMILESCCN(Cc1ccccc1)c1ccc(NC(=O)C(C)C)cn1
InChIInChI=1S/C18H23N3O/c1-4-21(13-15-8-6-5-7-9-15)17-11-10-16(12-19-17)20-18(22)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,22)
InChIKeyJKIUMZIWLYXXCV-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.70
Rot. Bonds6

About N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide

N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide (PubChem CID 113012566) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide
PubChem CID113012566
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide
SMILESCCN(Cc1ccccc1)c1ccc(NC(=O)C(C)C)cn1
InChIInChI=1S/C18H23N3O/c1-4-21(13-15-8-6-5-7-9-15)17-11-10-16(12-19-17)20-18(22)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,22)
InChIKeyJKIUMZIWLYXXCV-UHFFFAOYSA-N
XLogP3.70
TPSA45.23 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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea
CID 113012624
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113014992
2-amino-N-[6-[benzyl(ethyl)amino]-3-pyridinyl]acetamide
CID 39181885
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-4-methylbenzamide
CID 113012579
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113012596
(2S)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-phenylpropanamide;dihydrochloride
CID 119845900
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3,5-dimethoxybenzamide
CID 113012586
2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-methylbutanamide
CID 43705956
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide
CID 113015015
6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 109152040
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide
CID 113014989
2-amino-N-[6-(diethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 76887277

Frequently Asked Questions

What is the IUPAC name of N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide (CID 113012566) is N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide is CCN(Cc1ccccc1)c1ccc(NC(=O)C(C)C)cn1.
What is the InChIKey of N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide?
The InChIKey is JKIUMZIWLYXXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-21(13-15-8-6-5-7-9-15)17-11-10-16(12-19-17)20-18(22)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,22).
What are the key properties of N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide?
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 297.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 113012566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).