N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-cyclopropyl-6-methyl-2-pyridinyl)-2-methylpropanamide;N-[3-(methoxymethyl)-6-methyl-2-pyridinyl]-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide

C56H78ClN11O8 — CID 159582352

IUPACN-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-cyclopropyl-6-methyl-2-pyridinyl)-2-methylpropanamide;N-[3-(methoxymethyl)-6-methyl-2-pyridinyl]-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide
SMILESCOC(=O)c1ccc(C)nc1NC(=O)C(C)C.COCc1ccc(C)nc1NC(=O)C(C)C.Cc1ccc(C2CC2)c(NC(=O)C(C)C)n1.Cc1ccc(Cl)c(NC(=O)C(C)C)n1.Cc1cncc(NC(=O)C(C)C)n1
InChIInChI=1S/C13H18N2O.C12H16N2O3.C12H18N2O2.C10H13ClN2O.C9H13N3O/c1-8(2)13(16)15-12-11(10-5-6-10)7-4-9(3)14-12;1-7(2)11(15)14-10-9(12(16)17-4)6-5-8(3)13-10;1-8(2)12(15)14-11-10(7-16-4)6-5-9(3)13-11;1-6(2)10(14)13-9-8(11)5-4-7(3)12-9;1-6(2)9(13)12-8-5-10-4-7(3)11-8/h4,7-8,10H,5-6H2,1-3H3,(H,14,15,16);5-7H,1-4H3,(H,13,14,15);5-6,8H,7H2,1-4H3,(H,13,14,15);4-6H,1-3H3,(H,12,13,14);4-6H,1-3H3,(H,11,12,13)
InChIKeyMJEJAYSDYNMXDT-UHFFFAOYSA-N
MW1068.76 g/mol
LogP10.78
Rot. Bonds14

About N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-cyclopropyl-6-methyl-2-pyridinyl)-2-methylpropanamide;N-[3-(methoxymethyl)-6-methyl-2-pyridinyl]-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide

N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-cyclopropyl-6-methyl-2-pyridinyl)-2-methylpropanamide;N-[3-(methoxymethyl)-6-methyl-2-pyridinyl]-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide (PubChem CID 159582352) has the molecular formula C56H78ClN11O8 and a molecular weight of 1068.76 g/mol. Its IUPAC name is N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-cyclopropyl-6-methyl-2-pyridinyl)-2-methylpropanamide;N-[3-(methoxymethyl)-6-methyl-2-pyridinyl]-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-cyclopropyl-6-methyl-2-pyridinyl)-2-methylpropanamide;N-[3-(methoxymethyl)-6-methyl-2-pyridinyl]-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide
PubChem CID159582352
Molecular FormulaC56H78ClN11O8
Molecular Weight1068.76 g/mol
Exact Mass1067.57
IUPAC NameN-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-cyclopropyl-6-methyl-2-pyridinyl)-2-methylpropanamide;N-[3-(methoxymethyl)-6-methyl-2-pyridinyl]-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide
SMILESCOC(=O)c1ccc(C)nc1NC(=O)C(C)C.COCc1ccc(C)nc1NC(=O)C(C)C.Cc1ccc(C2CC2)c(NC(=O)C(C)C)n1.Cc1ccc(Cl)c(NC(=O)C(C)C)n1.Cc1cncc(NC(=O)C(C)C)n1
InChIInChI=1S/C13H18N2O.C12H16N2O3.C12H18N2O2.C10H13ClN2O.C9H13N3O/c1-8(2)13(16)15-12-11(10-5-6-10)7-4-9(3)14-12;1-7(2)11(15)14-10-9(12(16)17-4)6-5-8(3)13-10;1-8(2)12(15)14-11-10(7-16-4)6-5-9(3)13-11;1-6(2)10(14)13-9-8(11)5-4-7(3)12-9;1-6(2)9(13)12-8-5-10-4-7(3)11-8/h4,7-8,10H,5-6H2,1-3H3,(H,14,15,16);5-7H,1-4H3,(H,13,14,15);5-6,8H,7H2,1-4H3,(H,13,14,15);4-6H,1-3H3,(H,12,13,14);4-6H,1-3H3,(H,11,12,13)
InChIKeyMJEJAYSDYNMXDT-UHFFFAOYSA-N
XLogP10.78
TPSA258.37 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001068.76
LogP ≤ 510.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-cyclopropyl-6-methyl-2-pyridinyl)-2-methylpropanamide;N-[3-(methoxymethyl)-6-methyl-2-pyridinyl]-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-cyclopropyl-6-methyl-2-pyridinyl)-2-methylpropanamide;N-[3-(methoxymethyl)-6-methyl-2-pyridinyl]-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide?
The IUPAC name of N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-cyclopropyl-6-methyl-2-pyridinyl)-2-methylpropanamide;N-[3-(methoxymethyl)-6-methyl-2-pyridinyl]-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide (CID 159582352) is N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-cyclopropyl-6-methyl-2-pyridinyl)-2-methylpropanamide;N-[3-(methoxymethyl)-6-methyl-2-pyridinyl]-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide.
What is the SMILES notation for N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-cyclopropyl-6-methyl-2-pyridinyl)-2-methylpropanamide;N-[3-(methoxymethyl)-6-methyl-2-pyridinyl]-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide?
The canonical SMILES for N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-cyclopropyl-6-methyl-2-pyridinyl)-2-methylpropanamide;N-[3-(methoxymethyl)-6-methyl-2-pyridinyl]-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide is COC(=O)c1ccc(C)nc1NC(=O)C(C)C.COCc1ccc(C)nc1NC(=O)C(C)C.Cc1ccc(C2CC2)c(NC(=O)C(C)C)n1.Cc1ccc(Cl)c(NC(=O)C(C)C)n1.Cc1cncc(NC(=O)C(C)C)n1.
What is the InChIKey of N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-cyclopropyl-6-methyl-2-pyridinyl)-2-methylpropanamide;N-[3-(methoxymethyl)-6-methyl-2-pyridinyl]-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide?
The InChIKey is MJEJAYSDYNMXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.C12H16N2O3.C12H18N2O2.C10H13ClN2O.C9H13N3O/c1-8(2)13(16)15-12-11(10-5-6-10)7-4-9(3)14-12;1-7(2)11(15)14-10-9(12(16)17-4)6-5-8(3)13-10;1-8(2)12(15)14-11-10(7-16-4)6-5-9(3)13-11;1-6(2)10(14)13-9-8(11)5-4-7(3)12-9;1-6(2)9(13)12-8-5-10-4-7(3)11-8/h4,7-8,10H,5-6H2,1-3H3,(H,14,15,16);5-7H,1-4H3,(H,13,14,15);5-6,8H,7H2,1-4H3,(H,13,14,15);4-6H,1-3H3,(H,12,13,14);4-6H,1-3H3,(H,11,12,13).
What are the key properties of N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-cyclopropyl-6-methyl-2-pyridinyl)-2-methylpropanamide;N-[3-(methoxymethyl)-6-methyl-2-pyridinyl]-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide?
N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-cyclopropyl-6-methyl-2-pyridinyl)-2-methylpropanamide;N-[3-(methoxymethyl)-6-methyl-2-pyridinyl]-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide has a molecular weight of 1068.76 g/mol, XLogP of 10.78, 14 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-cyclopropyl-6-methyl-2-pyridinyl)-2-methylpropanamide;N-[3-(methoxymethyl)-6-methyl-2-pyridinyl]-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide is sourced from PubChem (CID 159582352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).