[6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate

C19H28N4O5 — CID 121347193

IUPAC[6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)Oc1ccc(N2CC(O)C2)c(OCC2CC2)n1)C(N)=O
InChIInChI=1S/C19H28N4O5/c1-11(2)7-14(17(20)25)21-19(26)28-16-6-5-15(23-8-13(24)9-23)18(22-16)27-10-12-3-4-12/h5-6,11-14,24H,3-4,7-10H2,1-2H3,(H2,20,25)(H,21,26)/t14-/m0/s1
InChIKeyRXNCDKPWIWLISU-AWEZNQCLSA-N
MW392.46 g/mol
LogP1.04
Rot. Bonds9

About [6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate

[6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 121347193) has the molecular formula C19H28N4O5 and a molecular weight of 392.46 g/mol. Its IUPAC name is [6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Name[6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID121347193
Molecular FormulaC19H28N4O5
Molecular Weight392.46 g/mol
Exact Mass392.21
IUPAC Name[6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)Oc1ccc(N2CC(O)C2)c(OCC2CC2)n1)C(N)=O
InChIInChI=1S/C19H28N4O5/c1-11(2)7-14(17(20)25)21-19(26)28-16-6-5-15(23-8-13(24)9-23)18(22-16)27-10-12-3-4-12/h5-6,11-14,24H,3-4,7-10H2,1-2H3,(H2,20,25)(H,21,26)/t14-/m0/s1
InChIKeyRXNCDKPWIWLISU-AWEZNQCLSA-N
XLogP1.04
TPSA127.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 121347234
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl] N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]carbamate
CID 122684595
N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
CID 71087872
3-fluoropropyl (2S)-2-[[6-(cyclopropylmethoxy)-5-pyrrolidin-1-ylpyridine-2-carbonyl]amino]-4-methylpentanoate
CID 155797050
[6-(cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
CID 121347158
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl] N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate
CID 121347261
6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 71093620
methyl 2-[[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]methyl]-4-methylpentanoate
CID 90202626
[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 122684604
methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate
CID 71087876
2-(tert-butylamino)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
CID 90204266
[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate
CID 121347109

Frequently Asked Questions

What is the IUPAC name of [6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of [6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate (CID 121347193) is [6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for [6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for [6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)Oc1ccc(N2CC(O)C2)c(OCC2CC2)n1)C(N)=O.
What is the InChIKey of [6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is RXNCDKPWIWLISU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28N4O5/c1-11(2)7-14(17(20)25)21-19(26)28-16-6-5-15(23-8-13(24)9-23)18(22-16)27-10-12-3-4-12/h5-6,11-14,24H,3-4,7-10H2,1-2H3,(H2,20,25)(H,21,26)/t14-/m0/s1.
What are the key properties of [6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate?
[6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 392.46 g/mol, XLogP of 1.04, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 121347193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).