6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide

C19H24N4O2 — CID 133388134

IUPAC6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCNC(=O)C(Nc1ccc(C(=O)Nc2ccc(C)cc2)cn1)C(C)C
InChIInChI=1S/C19H24N4O2/c1-12(2)17(19(25)20-4)23-16-10-7-14(11-21-16)18(24)22-15-8-5-13(3)6-9-15/h5-12,17H,1-4H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyGOUXEIMLJCMWJB-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.82
Rot. Bonds6

About 6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide

6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 133388134) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID133388134
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCNC(=O)C(Nc1ccc(C(=O)Nc2ccc(C)cc2)cn1)C(C)C
InChIInChI=1S/C19H24N4O2/c1-12(2)17(19(25)20-4)23-16-10-7-14(11-21-16)18(24)22-15-8-5-13(3)6-9-15/h5-12,17H,1-4H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyGOUXEIMLJCMWJB-UHFFFAOYSA-N
XLogP2.82
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide (CID 133388134) is 6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide is CNC(=O)C(Nc1ccc(C(=O)Nc2ccc(C)cc2)cn1)C(C)C.
What is the InChIKey of 6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is GOUXEIMLJCMWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12(2)17(19(25)20-4)23-16-10-7-14(11-21-16)18(24)22-15-8-5-13(3)6-9-15/h5-12,17H,1-4H3,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of 6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide?
6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 133388134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).