[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate

C₂₁H₃₁N₃O₄ — CID 121347234

About [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate

[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 121347234) has the molecular formula C₂₁H₃₁N₃O₄ and a molecular weight of 389.50 g/mol. Its IUPAC name is [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

• Compound Name: [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
• PubChem CID: 121347234
• Molecular Formula: C₂₁H₃₁N₃O₄
• Molecular Weight: 389.50 g/mol
• Exact Mass: 389.23
• IUPAC Name: [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
• SMILES: CC(C)C[C@H](NC(=O)Oc1ccc(C2CC2)c(OCC2CC2)n1)C(=O)N(C)C
• InChI: InChI=1S/C21H31N3O4/c1-13(2)11-17(20(25)24(3)4)22-21(26)28-18-10-9-16(15-7-8-15)19(23-18)27-12-14-5-6-14/h9-10,13-15,17H,5-8,11-12H2,1-4H3,(H,22,26)/t17-/m0/s1
• InChIKey: FDSAGHKRMUJTHR-KRWDZBQOSA-N
• XLogP: 3.34
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.50
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate?

The IUPAC name of [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate (CID 121347234) is [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate.

What is the SMILES notation for [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate?

The canonical SMILES for [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)Oc1ccc(C2CC2)c(OCC2CC2)n1)C(=O)N(C)C.

What is the InChIKey of [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate?

The InChIKey is FDSAGHKRMUJTHR-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-13(2)11-17(20(25)24(3)4)22-21(26)28-18-10-9-16(15-7-8-15)19(23-18)27-12-14-5-6-14/h9-10,13-15,17H,5-8,11-12H2,1-4H3,(H,22,26)/t17-/m0/s1.

What are the key properties of [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate?

[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 389.50 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 121347234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121347234 — identifiers, structure, computed properties (public domain)

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