N-[2-[[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrazol-3-yl]acetamide

C18H27N5O2 — CID 95120661

IUPACN-[2-[[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccnn1CC1=CCCN([C@@H](C)C(=O)N2CCCC2)C1
InChIInChI=1S/C18H27N5O2/c1-14(18(25)21-9-3-4-10-21)22-11-5-6-16(12-22)13-23-17(7-8-19-23)20-15(2)24/h6-8,14H,3-5,9-13H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyDSQZRTBNURFDPH-AWEZNQCLSA-N
MW345.45 g/mol
LogP1.48
Rot. Bonds5

About N-[2-[[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrazol-3-yl]acetamide

N-[2-[[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrazol-3-yl]acetamide (PubChem CID 95120661) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[2-[[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrazol-3-yl]acetamide
PubChem CID95120661
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-[2-[[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccnn1CC1=CCCN([C@@H](C)C(=O)N2CCCC2)C1
InChIInChI=1S/C18H27N5O2/c1-14(18(25)21-9-3-4-10-21)22-11-5-6-16(12-22)13-23-17(7-8-19-23)20-15(2)24/h6-8,14H,3-5,9-13H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyDSQZRTBNURFDPH-AWEZNQCLSA-N
XLogP1.48
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[2-[[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrazol-3-yl]acetamide (CID 95120661) is N-[2-[[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[2-[[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[2-[[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccnn1CC1=CCCN([C@@H](C)C(=O)N2CCCC2)C1.
What is the InChIKey of N-[2-[[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrazol-3-yl]acetamide?
The InChIKey is DSQZRTBNURFDPH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-14(18(25)21-9-3-4-10-21)22-11-5-6-16(12-22)13-23-17(7-8-19-23)20-15(2)24/h6-8,14H,3-5,9-13H2,1-2H3,(H,20,24)/t14-/m0/s1.
What are the key properties of N-[2-[[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrazol-3-yl]acetamide?
N-[2-[[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrazol-3-yl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 95120661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).