N-[[6-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide

C19H27N5O — CID 110107855

IUPACN-[[6-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C2CCCN2Cc2c(C)nn(C)c2C)nc1
InChIInChI=1S/C19H27N5O/c1-13-17(14(2)23(4)22-13)12-24-9-5-6-19(24)18-8-7-16(11-21-18)10-20-15(3)25/h7-8,11,19H,5-6,9-10,12H2,1-4H3,(H,20,25)
InChIKeyWUCNIWLWGKJWMU-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.41
Rot. Bonds5

About N-[[6-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide

N-[[6-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide (PubChem CID 110107855) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[[6-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
PubChem CID110107855
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[[6-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C2CCCN2Cc2c(C)nn(C)c2C)nc1
InChIInChI=1S/C19H27N5O/c1-13-17(14(2)23(4)22-13)12-24-9-5-6-19(24)18-8-7-16(11-21-18)10-20-15(3)25/h7-8,11,19H,5-6,9-10,12H2,1-4H3,(H,20,25)
InChIKeyWUCNIWLWGKJWMU-UHFFFAOYSA-N
XLogP2.41
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[6-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide with MolForge

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Related Compounds

N-[[6-[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124969790
N-[[6-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124946164
N-[[6-[(2R)-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124953950
N-[[6-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094722
N-[[6-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094772
N-[[6-[1-(dimethylsulfamoyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094766
N-[[6-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124939627
N-[[6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094898
2-[(2R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-[(4-fluorophenyl)methyl]pyridine
CID 92615686
2-[(2S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-[(4-fluorophenyl)methyl]pyridine
CID 92615687
N-[[6-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124994748
(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 28844021

Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide (CID 110107855) is N-[[6-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide is CC(=O)NCc1ccc(C2CCCN2Cc2c(C)nn(C)c2C)nc1.
What is the InChIKey of N-[[6-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide?
The InChIKey is WUCNIWLWGKJWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-13-17(14(2)23(4)22-13)12-24-9-5-6-19(24)18-8-7-16(11-21-18)10-20-15(3)25/h7-8,11,19H,5-6,9-10,12H2,1-4H3,(H,20,25).
What are the key properties of N-[[6-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide?
N-[[6-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide has a molecular weight of 341.46 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 110107855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).