N-cyclopropyl-N-[[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide

C17H25N3O2 — CID 129474418

IUPACN-cyclopropyl-N-[[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)N(C[C@H]1CCCN1Cc1nc(C)ccc1O)C1CC1
InChIInChI=1S/C17H25N3O2/c1-12-5-8-17(22)16(18-12)11-19-9-3-4-15(19)10-20(13(2)21)14-6-7-14/h5,8,14-15,22H,3-4,6-7,9-11H2,1-2H3/t15-/m1/s1
InChIKeyFMOBBGMJSLIYNS-OAHLLOKOSA-N
MW303.41 g/mol
LogP2.07
Rot. Bonds5

About N-cyclopropyl-N-[[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide

N-cyclopropyl-N-[[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide (PubChem CID 129474418) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-cyclopropyl-N-[[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide
PubChem CID129474418
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-cyclopropyl-N-[[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)N(C[C@H]1CCCN1Cc1nc(C)ccc1O)C1CC1
InChIInChI=1S/C17H25N3O2/c1-12-5-8-17(22)16(18-12)11-19-9-3-4-15(19)10-20(13(2)21)14-6-7-14/h5,8,14-15,22H,3-4,6-7,9-11H2,1-2H3/t15-/m1/s1
InChIKeyFMOBBGMJSLIYNS-OAHLLOKOSA-N
XLogP2.07
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 103885778
2-[(2-ethylpyrrolidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 82982636
N-cyclopropyl-N-[[(2R)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129474004
N-cyclopropyl-N-[[(2R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129333358
N-[(4S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]azepan-4-yl]-N-(pyrimidin-5-ylmethyl)acetamide
CID 129339986
N-cyclopropyl-N-[[(2S)-1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129344059
N-cyclopropyl-N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methyl]acetamide
CID 128967180
N-cyclopropyl-N-[[(2S)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129344461
N-cyclopropyl-N-[[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129003015
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-6-methylpyridin-3-ol
CID 82986489
2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 128996529
5-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129002276

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide (CID 129474418) is N-cyclopropyl-N-[[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide is CC(=O)N(C[C@H]1CCCN1Cc1nc(C)ccc1O)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is FMOBBGMJSLIYNS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-5-8-17(22)16(18-12)11-19-9-3-4-15(19)10-20(13(2)21)14-6-7-14/h5,8,14-15,22H,3-4,6-7,9-11H2,1-2H3/t15-/m1/s1.
What are the key properties of N-cyclopropyl-N-[[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide?
N-cyclopropyl-N-[[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 303.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 129474418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).