(2R)-2-amino-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxy-2-pyridinyl]butanamide

C20H23N3O3 — CID 135142380

IUPAC(2R)-2-amino-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxy-2-pyridinyl]butanamide
SMILESCC[C@@H](N)C(=O)Nc1ccc(Oc2ccc(C)c3c2C2(CC2)CO3)cn1
InChIInChI=1S/C20H23N3O3/c1-3-14(21)19(24)23-16-7-5-13(10-22-16)26-15-6-4-12(2)18-17(15)20(8-9-20)11-25-18/h4-7,10,14H,3,8-9,11,21H2,1-2H3,(H,22,23,24)/t14-/m1/s1
InChIKeyYDBWXQNBJQRUIT-CQSZACIVSA-N
MW353.42 g/mol
LogP3.28
Rot. Bonds5

About (2R)-2-amino-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxy-2-pyridinyl]butanamide

(2R)-2-amino-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxy-2-pyridinyl]butanamide (PubChem CID 135142380) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (2R)-2-amino-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxy-2-pyridinyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxy-2-pyridinyl]butanamide
PubChem CID135142380
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(2R)-2-amino-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxy-2-pyridinyl]butanamide
SMILESCC[C@@H](N)C(=O)Nc1ccc(Oc2ccc(C)c3c2C2(CC2)CO3)cn1
InChIInChI=1S/C20H23N3O3/c1-3-14(21)19(24)23-16-7-5-13(10-22-16)26-15-6-4-12(2)18-17(15)20(8-9-20)11-25-18/h4-7,10,14H,3,8-9,11,21H2,1-2H3,(H,22,23,24)/t14-/m1/s1
InChIKeyYDBWXQNBJQRUIT-CQSZACIVSA-N
XLogP3.28
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyridin-2-amine
CID 129247046
CID 159209061
CID 159209061
3,3-dimethyl-1-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrimidin-2-yl]pyrrolidine-2,5-dione
CID 158627425
2-amino-N-(5-chloro-2-pyridinyl)butanamide
CID 60779855
4-imino-3,3-dimethyl-1-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrimidin-2-yl]pyrrolidine-2,5-dione
CID 146563958
(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide
CID 146264472
tert-butyl N-[(2R)-1-oxo-1-[[2-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-5-yl]amino]butan-2-yl]carbamate
CID 86698457
(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 79024953
(2R)-2-amino-N-[6-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide;2,2,2-trifluoroacetic acid
CID 146264526
2-[3-(2-aminobutanoylamino)-4-methylphenoxy]ethyl nitrate;hydrochloride
CID 70499880
(2R)-2-bromo-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide
CID 163237982
2-amino-N-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]butanamide
CID 71090057

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxy-2-pyridinyl]butanamide?
The IUPAC name of (2R)-2-amino-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxy-2-pyridinyl]butanamide (CID 135142380) is (2R)-2-amino-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxy-2-pyridinyl]butanamide.
What is the SMILES notation for (2R)-2-amino-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxy-2-pyridinyl]butanamide?
The canonical SMILES for (2R)-2-amino-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxy-2-pyridinyl]butanamide is CC[C@@H](N)C(=O)Nc1ccc(Oc2ccc(C)c3c2C2(CC2)CO3)cn1.
What is the InChIKey of (2R)-2-amino-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxy-2-pyridinyl]butanamide?
The InChIKey is YDBWXQNBJQRUIT-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-14(21)19(24)23-16-7-5-13(10-22-16)26-15-6-4-12(2)18-17(15)20(8-9-20)11-25-18/h4-7,10,14H,3,8-9,11,21H2,1-2H3,(H,22,23,24)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxy-2-pyridinyl]butanamide?
(2R)-2-amino-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxy-2-pyridinyl]butanamide has a molecular weight of 353.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxy-2-pyridinyl]butanamide is sourced from PubChem (CID 135142380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).