methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate

C20H28N2O4 — CID 71087876

IUPACmethyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C20H28N2O4/c1-12(2)10-17(20(24)25-3)21-18(23)16-9-8-15(14-6-7-14)19(22-16)26-11-13-4-5-13/h8-9,12-14,17H,4-7,10-11H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyXRFAUTYOXDGQFN-KRWDZBQOSA-N
MW360.45 g/mol
LogP3.07
Rot. Bonds9

About methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate

methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate (PubChem CID 71087876) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate
PubChem CID71087876
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Namemethyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C20H28N2O4/c1-12(2)10-17(20(24)25-3)21-18(23)16-9-8-15(14-6-7-14)19(22-16)26-11-13-4-5-13/h8-9,12-14,17H,4-7,10-11H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyXRFAUTYOXDGQFN-KRWDZBQOSA-N
XLogP3.07
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate with MolForge

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Related Compounds

methyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate
CID 71087544
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pyridine-2-carboxamide
CID 71087382
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
CID 71087216
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
CID 71087224
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 78010149
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]pyridine-2-carboxamide
CID 71105647
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 71105657
(1R)-1-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2,2-dimethyl-N-(methylamino)propan-1-amine oxide
CID 163728943
[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 121347234
3-fluoropropyl (2S)-2-[[6-(cyclopropylmethoxy)-5-pyrrolidin-1-ylpyridine-2-carbonyl]amino]-4-methylpentanoate
CID 155797050
N-[(R)-cyclopropen-1-yl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
CID 134424121
5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide
CID 71087534

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate?
The IUPAC name of methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate (CID 71087876) is methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate is COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1.
What is the InChIKey of methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate?
The InChIKey is XRFAUTYOXDGQFN-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-12(2)10-17(20(24)25-3)21-18(23)16-9-8-15(14-6-7-14)19(22-16)26-11-13-4-5-13/h8-9,12-14,17H,4-7,10-11H2,1-3H3,(H,21,23)/t17-/m0/s1.
What are the key properties of methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate?
methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate has a molecular weight of 360.45 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate is sourced from PubChem (CID 71087876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).