[2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-4-methyl-3-pyridinyl] 2-methylpropanoate

C16H25N3O2 — CID 174676248

IUPAC[2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-4-methyl-3-pyridinyl] 2-methylpropanoate
SMILESCCN[C@@H]1CCN(c2nccc(C)c2OC(=O)C(C)C)C1
InChIInChI=1S/C16H25N3O2/c1-5-17-13-7-9-19(10-13)15-14(12(4)6-8-18-15)21-16(20)11(2)3/h6,8,11,13,17H,5,7,9-10H2,1-4H3/t13-/m1/s1
InChIKeyJDBVUWHPEHPBRN-CYBMUJFWSA-N
MW291.40 g/mol
LogP2.14
Rot. Bonds5

About [2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-4-methyl-3-pyridinyl] 2-methylpropanoate

[2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-4-methyl-3-pyridinyl] 2-methylpropanoate (PubChem CID 174676248) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is [2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-4-methyl-3-pyridinyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-4-methyl-3-pyridinyl] 2-methylpropanoate
PubChem CID174676248
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name[2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-4-methyl-3-pyridinyl] 2-methylpropanoate
SMILESCCN[C@@H]1CCN(c2nccc(C)c2OC(=O)C(C)C)C1
InChIInChI=1S/C16H25N3O2/c1-5-17-13-7-9-19(10-13)15-14(12(4)6-8-18-15)21-16(20)11(2)3/h6,8,11,13,17H,5,7,9-10H2,1-4H3/t13-/m1/s1
InChIKeyJDBVUWHPEHPBRN-CYBMUJFWSA-N
XLogP2.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2H-Pyrano[2,3-c]pyridin-2-one, 8-amino-4-methyl-
CID 333849
2-(Acetylamino)-3-pyridyl acetate
CID 2800224
5-(difluoromethoxy)-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine
CID 124516818
2-[[3-[[5-(3-Fluorophenoxy)-2-pyridinyl]amino]-3-phenylpropyl]-methylamino]acetic acid
CID 11350368
2-[[3-[[5-(4-Fluorophenoxy)-2-pyridinyl]amino]-3-phenylpropyl]-methylamino]acetic acid
CID 11361854
1-[3-(Pyridin-4-ylmethoxy)pyridin-2-yl]-piperazine trifluoroacetic acid salt
CID 67388278
[6-[2-Carbamoyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl] 2,2,2-trifluoroacetate
CID 68736365
propan-2-yl 4-[(1S)-1-[[6-[(3R,4S)-3-(chloroamino)-4-[(2E,4E)-2,5-difluorohepta-2,4,6-trienyl]pyrrolidin-1-yl]-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylate
CID 88873992
2-[(5S)-3-(5-ethoxypyridin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]acetamide
CID 90321845
[1-[3-(Pyridin-4-ylmethoxy)-2-pyridinyl]piperazin-2-yl] 2,2,2-trifluoroacetate
CID 140066966
8-[3-Methoxy-4-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane
CID 140306570
N-[4-[[[(3R)-1-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]amino]methyl]-2-pyridinyl]butanamide
CID 154975653

Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-4-methyl-3-pyridinyl] 2-methylpropanoate?
The IUPAC name of [2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-4-methyl-3-pyridinyl] 2-methylpropanoate (CID 174676248) is [2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-4-methyl-3-pyridinyl] 2-methylpropanoate.
What is the SMILES notation for [2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-4-methyl-3-pyridinyl] 2-methylpropanoate?
The canonical SMILES for [2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-4-methyl-3-pyridinyl] 2-methylpropanoate is CCN[C@@H]1CCN(c2nccc(C)c2OC(=O)C(C)C)C1.
What is the InChIKey of [2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-4-methyl-3-pyridinyl] 2-methylpropanoate?
The InChIKey is JDBVUWHPEHPBRN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-17-13-7-9-19(10-13)15-14(12(4)6-8-18-15)21-16(20)11(2)3/h6,8,11,13,17H,5,7,9-10H2,1-4H3/t13-/m1/s1.
What are the key properties of [2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-4-methyl-3-pyridinyl] 2-methylpropanoate?
[2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-4-methyl-3-pyridinyl] 2-methylpropanoate has a molecular weight of 291.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-4-methyl-3-pyridinyl] 2-methylpropanoate is sourced from PubChem (CID 174676248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).