N-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

C19H27N5O — CID 124940019

IUPACN-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCCCn1cc(CN2CCC[C@H]2c2cccc(CNC(C)=O)n2)cn1
InChIInChI=1S/C19H27N5O/c1-3-9-24-14-16(11-21-24)13-23-10-5-8-19(23)18-7-4-6-17(22-18)12-20-15(2)25/h4,6-7,11,14,19H,3,5,8-10,12-13H2,1-2H3,(H,20,25)/t19-/m0/s1
InChIKeyADIOQAYEIDRSPX-IBGZPJMESA-N
MW341.46 g/mol
LogP2.66
Rot. Bonds7

About N-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

N-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 124940019) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
PubChem CID124940019
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCCCn1cc(CN2CCC[C@H]2c2cccc(CNC(C)=O)n2)cn1
InChIInChI=1S/C19H27N5O/c1-3-9-24-14-16(11-21-24)13-23-10-5-8-19(23)18-7-4-6-17(22-18)12-20-15(2)25/h4,6-7,11,14,19H,3,5,8-10,12-13H2,1-2H3,(H,20,25)/t19-/m0/s1
InChIKeyADIOQAYEIDRSPX-IBGZPJMESA-N
XLogP2.66
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide with MolForge

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Related Compounds

N-[[6-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095794
N-[[6-[(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124996366
N-[[6-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125007878
N-[[6-[(2S)-1-(1-propylpyrazole-3-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124942805
N-[[6-[1-(1-propylpyrazole-3-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107825
2-[[2-[6-(acetamidomethyl)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 110107808
N-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124995506
N-[[6-[1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107796
N-[[6-[(2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124968382
2-imidazol-1-yl-6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95826958
N-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125019005
N-[[6-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124946164

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (CID 124940019) is N-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is CCCn1cc(CN2CCC[C@H]2c2cccc(CNC(C)=O)n2)cn1.
What is the InChIKey of N-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is ADIOQAYEIDRSPX-IBGZPJMESA-N. The full InChI is InChI=1S/C19H27N5O/c1-3-9-24-14-16(11-21-24)13-23-10-5-8-19(23)18-7-4-6-17(22-18)12-20-15(2)25/h4,6-7,11,14,19H,3,5,8-10,12-13H2,1-2H3,(H,20,25)/t19-/m0/s1.
What are the key properties of N-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
N-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 341.46 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 124940019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).