methyl 2,4-dimethyl-6-[methyl-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate

C19H29N3O4 — CID 163389430

About methyl 2,4-dimethyl-6-[methyl-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate

methyl 2,4-dimethyl-6-[methyl-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate (PubChem CID 163389430) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is methyl 2,4-dimethyl-6-[methyl-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: methyl 2,4-dimethyl-6-[methyl-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate
• PubChem CID: 163389430
• Molecular Formula: C19H29N3O4
• Molecular Weight: 363.46 g/mol
• Exact Mass: 363.22
• IUPAC Name: methyl 2,4-dimethyl-6-[methyl-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate
• SMILES: COC(=O)c1c(C)cc(N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1C
• InChI: InChI=1S/C19H29N3O4/c1-12-10-15(20-13(2)16(12)17(23)25-7)21(6)14-8-9-22(11-14)18(24)26-19(3,4)5/h10,14H,8-9,11H2,1-7H3/t14-/m1/s1
• InChIKey: RNAWTDZCFVCGJC-CQSZACIVSA-N
• XLogP: 2.93
• TPSA: 71.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.46
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethyl-6-[methyl-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate?

The IUPAC name of methyl 2,4-dimethyl-6-[methyl-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate (CID 163389430) is methyl 2,4-dimethyl-6-[methyl-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate.

What is the SMILES notation for methyl 2,4-dimethyl-6-[methyl-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate?

The canonical SMILES for methyl 2,4-dimethyl-6-[methyl-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate is COC(=O)c1c(C)cc(N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1C.

What is the InChIKey of methyl 2,4-dimethyl-6-[methyl-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate?

The InChIKey is RNAWTDZCFVCGJC-CQSZACIVSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-12-10-15(20-13(2)16(12)17(23)25-7)21(6)14-8-9-22(11-14)18(24)26-19(3,4)5/h10,14H,8-9,11H2,1-7H3/t14-/m1/s1.

What are the key properties of methyl 2,4-dimethyl-6-[methyl-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate?

methyl 2,4-dimethyl-6-[methyl-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2,4-dimethyl-6-[methyl-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 163389430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).