2-[cyclopropyl(methyl)amino]-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide

C23H29N3O2 — CID 176578343

IUPAC2-[cyclopropyl(methyl)amino]-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide
SMILESCCc1cccc(-c2cnc(C(=O)C(C)C)c(NC(=O)CN(C)C3CC3)c2)c1
InChIInChI=1S/C23H29N3O2/c1-5-16-7-6-8-17(11-16)18-12-20(22(24-13-18)23(28)15(2)3)25-21(27)14-26(4)19-9-10-19/h6-8,11-13,15,19H,5,9-10,14H2,1-4H3,(H,25,27)
InChIKeyDSKYRTYZORUKKY-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.18
Rot. Bonds8

About 2-[cyclopropyl(methyl)amino]-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide

2-[cyclopropyl(methyl)amino]-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide (PubChem CID 176578343) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide
PubChem CID176578343
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[cyclopropyl(methyl)amino]-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide
SMILESCCc1cccc(-c2cnc(C(=O)C(C)C)c(NC(=O)CN(C)C3CC3)c2)c1
InChIInChI=1S/C23H29N3O2/c1-5-16-7-6-8-17(11-16)18-12-20(22(24-13-18)23(28)15(2)3)25-21(27)14-26(4)19-9-10-19/h6-8,11-13,15,19H,5,9-10,14H2,1-4H3,(H,25,27)
InChIKeyDSKYRTYZORUKKY-UHFFFAOYSA-N
XLogP4.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylamino)-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide
CID 176582208
N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]-2-[(1-methylimidazol-4-yl)methylamino]acetamide
CID 176577437
1-[3-[(3-ethyloxetan-3-yl)amino]-5-(3-ethylphenyl)-2-pyridinyl]-2-methylpropan-1-one
CID 176578205
N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]-2-[(1-methyl-2-oxabicyclo[3.1.1]hept-4-en-4-yl)methylamino]acetamide;molecular hydrogen
CID 176581326
3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane
CID 176581887
methyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate
CID 177118718
tert-butyl N-[2-[[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]amino]-2-oxoethyl]-N-(pyrimidin-4-ylmethyl)carbamate;N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;molecular hydrogen
CID 176582632
N-[2-(2-methylpropanoyl)-5-[3-(2,2,2-trifluoroethyl)phenyl]-3-pyridinyl]-2-morpholin-4-ylacetamide
CID 176581624
acetaldehyde;ethane;5-(3-ethylphenyl)-3-(methylamino)pyridine-2-carboxylic acid
CID 176575953
N-[2-(2-methylpropanoyl)-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetamide
CID 177119035
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 176576687
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-morpholin-4-ylacetamide;ethane
CID 176577668

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide (CID 176578343) is 2-[cyclopropyl(methyl)amino]-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide is CCc1cccc(-c2cnc(C(=O)C(C)C)c(NC(=O)CN(C)C3CC3)c2)c1.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide?
The InChIKey is DSKYRTYZORUKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-5-16-7-6-8-17(11-16)18-12-20(22(24-13-18)23(28)15(2)3)25-21(27)14-26(4)19-9-10-19/h6-8,11-13,15,19H,5,9-10,14H2,1-4H3,(H,25,27).
What are the key properties of 2-[cyclopropyl(methyl)amino]-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide?
2-[cyclopropyl(methyl)amino]-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 176578343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).