5-(2-acetamido-4-pyridinyl)-N-butan-2-yl-N-methyl-2-(methylamino)pyridine-3-carboxamide;propane

C22H33N5O2 — CID 144889206

IUPAC5-(2-acetamido-4-pyridinyl)-N-butan-2-yl-N-methyl-2-(methylamino)pyridine-3-carboxamide;propane
SMILESCCC.CCC(C)N(C)C(=O)c1cc(-c2ccnc(NC(C)=O)c2)cnc1NC
InChIInChI=1S/C19H25N5O2.C3H8/c1-6-12(2)24(5)19(26)16-9-15(11-22-18(16)20-4)14-7-8-21-17(10-14)23-13(3)25;1-3-2/h7-12H,6H2,1-5H3,(H,20,22)(H,21,23,25);3H2,1-2H3
InChIKeyCPPYEKQBXQJQCU-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.43
Rot. Bonds6

About 5-(2-acetamido-4-pyridinyl)-N-butan-2-yl-N-methyl-2-(methylamino)pyridine-3-carboxamide;propane

5-(2-acetamido-4-pyridinyl)-N-butan-2-yl-N-methyl-2-(methylamino)pyridine-3-carboxamide;propane (PubChem CID 144889206) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 5-(2-acetamido-4-pyridinyl)-N-butan-2-yl-N-methyl-2-(methylamino)pyridine-3-carboxamide;propane.

Molecular Properties

Compound Name5-(2-acetamido-4-pyridinyl)-N-butan-2-yl-N-methyl-2-(methylamino)pyridine-3-carboxamide;propane
PubChem CID144889206
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name5-(2-acetamido-4-pyridinyl)-N-butan-2-yl-N-methyl-2-(methylamino)pyridine-3-carboxamide;propane
SMILESCCC.CCC(C)N(C)C(=O)c1cc(-c2ccnc(NC(C)=O)c2)cnc1NC
InChIInChI=1S/C19H25N5O2.C3H8/c1-6-12(2)24(5)19(26)16-9-15(11-22-18(16)20-4)14-7-8-21-17(10-14)23-13(3)25;1-3-2/h7-12H,6H2,1-5H3,(H,20,22)(H,21,23,25);3H2,1-2H3
InChIKeyCPPYEKQBXQJQCU-UHFFFAOYSA-N
XLogP4.43
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2-acetamido-4-pyridinyl)-N-butan-2-yl-N-methyl-2-(methylamino)pyridine-3-carboxamide;propane with MolForge

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Related Compounds

5-bromo-N-methyl-2-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 62169583
N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide
CID 144889170
[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate
CID 123249562
N-(1-cyanopropan-2-yl)-5-fluoro-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 114035010
4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730263
N-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide
CID 118249007
N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide
CID 158101881
N-butan-2-yl-1-hydrazinyl-N-methylisoquinoline-4-carboxamide
CID 106773886
N-(4-pyridin-2-yl-2-pyridinyl)acetamide
CID 22601790
N-[4-[5-[benzenesulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293459
N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 144889453
N-[4-[5-(tert-butylsulfamoyl)-4-methyl-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293487

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-4-pyridinyl)-N-butan-2-yl-N-methyl-2-(methylamino)pyridine-3-carboxamide;propane?
The IUPAC name of 5-(2-acetamido-4-pyridinyl)-N-butan-2-yl-N-methyl-2-(methylamino)pyridine-3-carboxamide;propane (CID 144889206) is 5-(2-acetamido-4-pyridinyl)-N-butan-2-yl-N-methyl-2-(methylamino)pyridine-3-carboxamide;propane.
What is the SMILES notation for 5-(2-acetamido-4-pyridinyl)-N-butan-2-yl-N-methyl-2-(methylamino)pyridine-3-carboxamide;propane?
The canonical SMILES for 5-(2-acetamido-4-pyridinyl)-N-butan-2-yl-N-methyl-2-(methylamino)pyridine-3-carboxamide;propane is CCC.CCC(C)N(C)C(=O)c1cc(-c2ccnc(NC(C)=O)c2)cnc1NC.
What is the InChIKey of 5-(2-acetamido-4-pyridinyl)-N-butan-2-yl-N-methyl-2-(methylamino)pyridine-3-carboxamide;propane?
The InChIKey is CPPYEKQBXQJQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2.C3H8/c1-6-12(2)24(5)19(26)16-9-15(11-22-18(16)20-4)14-7-8-21-17(10-14)23-13(3)25;1-3-2/h7-12H,6H2,1-5H3,(H,20,22)(H,21,23,25);3H2,1-2H3.
What are the key properties of 5-(2-acetamido-4-pyridinyl)-N-butan-2-yl-N-methyl-2-(methylamino)pyridine-3-carboxamide;propane?
5-(2-acetamido-4-pyridinyl)-N-butan-2-yl-N-methyl-2-(methylamino)pyridine-3-carboxamide;propane has a molecular weight of 399.54 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamido-4-pyridinyl)-N-butan-2-yl-N-methyl-2-(methylamino)pyridine-3-carboxamide;propane is sourced from PubChem (CID 144889206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).