(2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide

C18H25N3O — CID 97198876

IUPAC(2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
SMILESO=C(NCC1=CCCCC1)[C@@H](c1cccnc1)N1CCCC1
InChIInChI=1S/C18H25N3O/c22-18(20-13-15-7-2-1-3-8-15)17(21-11-4-5-12-21)16-9-6-10-19-14-16/h6-7,9-10,14,17H,1-5,8,11-13H2,(H,20,22)/t17-/m1/s1
InChIKeyIFLRSCHMEJZHOM-QGZVFWFLSA-N
MW299.42 g/mol
LogP2.84
Rot. Bonds5

About (2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide

(2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide (PubChem CID 97198876) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is (2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name(2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
PubChem CID97198876
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
SMILESO=C(NCC1=CCCCC1)[C@@H](c1cccnc1)N1CCCC1
InChIInChI=1S/C18H25N3O/c22-18(20-13-15-7-2-1-3-8-15)17(21-11-4-5-12-21)16-9-6-10-19-14-16/h6-7,9-10,14,17H,1-5,8,11-13H2,(H,20,22)/t17-/m1/s1
InChIKeyIFLRSCHMEJZHOM-QGZVFWFLSA-N
XLogP2.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexen-1-ylmethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 56755952
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 56739589
4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid
CID 72885948
N-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
CID 164930531
(2S)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 97200310
1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
CID 116860071
N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 74240297
N-(cyclohexen-1-ylmethyl)-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 122562954
(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 136861472
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 72861699
2-pyridin-3-yl-2-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 118769640
(2S)-N-[(2,4-difluorophenyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97131048

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of (2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide (CID 97198876) is (2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for (2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for (2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide is O=C(NCC1=CCCCC1)[C@@H](c1cccnc1)N1CCCC1.
What is the InChIKey of (2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The InChIKey is IFLRSCHMEJZHOM-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H25N3O/c22-18(20-13-15-7-2-1-3-8-15)17(21-11-4-5-12-21)16-9-6-10-19-14-16/h6-7,9-10,14,17H,1-5,8,11-13H2,(H,20,22)/t17-/m1/s1.
What are the key properties of (2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
(2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide has a molecular weight of 299.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 97198876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).