N-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

C17H21N5O2 — CID 124995506

IUPACN-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cccc([C@H]2CCCN2C(=O)c2cnn(C)c2)n1
InChIInChI=1S/C17H21N5O2/c1-12(23)18-10-14-5-3-6-15(20-14)16-7-4-8-22(16)17(24)13-9-19-21(2)11-13/h3,5-6,9,11,16H,4,7-8,10H2,1-2H3,(H,18,23)/t16-/m1/s1
InChIKeyQMQWKQXHWGRIBS-MRXNPFEDSA-N
MW327.39 g/mol
LogP1.43
Rot. Bonds4

About N-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

N-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 124995506) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
PubChem CID124995506
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cccc([C@H]2CCCN2C(=O)c2cnn(C)c2)n1
InChIInChI=1S/C17H21N5O2/c1-12(23)18-10-14-5-3-6-15(20-14)16-7-4-8-22(16)17(24)13-9-19-21(2)11-13/h3,5-6,9,11,16H,4,7-8,10H2,1-2H3,(H,18,23)/t16-/m1/s1
InChIKeyQMQWKQXHWGRIBS-MRXNPFEDSA-N
XLogP1.43
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-[(2R)-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125020730
[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110254706
N-[[6-[1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107822
N-[[6-[1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107796
N-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125019005
N-[[2-methyl-4-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124985573
N-[[6-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125024071
N-[[6-[1-(1-propylpyrazole-3-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107825
N-[[6-[(2S)-1-(1-propylpyrazole-3-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124942805
N-[[6-[1-(2-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107813
N-[[6-[(2R)-1-[2-methyl-2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124979556
N-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124940019

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (CID 124995506) is N-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cccc([C@H]2CCCN2C(=O)c2cnn(C)c2)n1.
What is the InChIKey of N-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is QMQWKQXHWGRIBS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12(23)18-10-14-5-3-6-15(20-14)16-7-4-8-22(16)17(24)13-9-19-21(2)11-13/h3,5-6,9,11,16H,4,7-8,10H2,1-2H3,(H,18,23)/t16-/m1/s1.
What are the key properties of N-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
N-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 327.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 124995506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).