N-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethyl-2-(2-methylpropanoylamino)benzamide

C21H27N3O2 — CID 50948874

IUPACN-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethyl-2-(2-methylpropanoylamino)benzamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(C)ccc2NC(=O)C(C)C)nc1
InChIInChI=1S/C21H27N3O2/c1-6-16-8-9-17(22-12-16)13-24(5)21(26)18-11-15(4)7-10-19(18)23-20(25)14(2)3/h7-12,14H,6,13H2,1-5H3,(H,23,25)
InChIKeyJOYZXPKESBYOFD-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.82
Rot. Bonds6

About N-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethyl-2-(2-methylpropanoylamino)benzamide

N-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethyl-2-(2-methylpropanoylamino)benzamide (PubChem CID 50948874) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethyl-2-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethyl-2-(2-methylpropanoylamino)benzamide
PubChem CID50948874
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethyl-2-(2-methylpropanoylamino)benzamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(C)ccc2NC(=O)C(C)C)nc1
InChIInChI=1S/C21H27N3O2/c1-6-16-8-9-17(22-12-16)13-24(5)21(26)18-11-15(4)7-10-19(18)23-20(25)14(2)3/h7-12,14H,6,13H2,1-5H3,(H,23,25)
InChIKeyJOYZXPKESBYOFD-UHFFFAOYSA-N
XLogP3.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-dimethyl-2-(2-methylpropanoylamino)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 50964350
N-[(5-ethyl-2-pyridinyl)methyl]-2,6-dihydroxy-N-methylbenzamide
CID 56878008
N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 56750480
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
CID 56909120
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 77081692
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-4-oxochromene-2-carboxamide
CID 56754468
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide
CID 91766594
N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide
CID 30336748
(2R)-2-amino-N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethylpentanamide
CID 56873625
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
CID 56752041
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 26279343

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethyl-2-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethyl-2-(2-methylpropanoylamino)benzamide (CID 50948874) is N-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethyl-2-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethyl-2-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethyl-2-(2-methylpropanoylamino)benzamide is CCc1ccc(CN(C)C(=O)c2cc(C)ccc2NC(=O)C(C)C)nc1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethyl-2-(2-methylpropanoylamino)benzamide?
The InChIKey is JOYZXPKESBYOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-6-16-8-9-17(22-12-16)13-24(5)21(26)18-11-15(4)7-10-19(18)23-20(25)14(2)3/h7-12,14H,6,13H2,1-5H3,(H,23,25).
What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethyl-2-(2-methylpropanoylamino)benzamide?
N-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethyl-2-(2-methylpropanoylamino)benzamide has a molecular weight of 353.47 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethyl-2-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 50948874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).