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

C21H31N3O4 — CID 121347234

IUPAC[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)Oc1ccc(C2CC2)c(OCC2CC2)n1)C(=O)N(C)C
InChIInChI=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
InChIKeyFDSAGHKRMUJTHR-KRWDZBQOSA-N
MW389.50 g/mol
LogP3.34
Rot. Bonds9

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 CID121347234
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)Oc1ccc(C2CC2)c(OCC2CC2)n1)C(=O)N(C)C
InChIInChI=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
InChIKeyFDSAGHKRMUJTHR-KRWDZBQOSA-N
XLogP3.34
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate
CID 121347193
methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate
CID 71087876
[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate
CID 121347109
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 71105657
[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-(2-oxo-1,3-oxazinan-3-yl)carbamate
CID 121347123
[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 122684604
[5-cyclopentyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate
CID 121347302
methyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate
CID 71087544
N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
CID 123482849
[5-cyclopropyl-6-(oxolan-2-ylmethoxy)-2-pyridinyl] N-tert-butylcarbamate
CID 121347296
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]pyridine-2-carboxamide
CID 71105647
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 78010149

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).