N-[(3R)-1-ethynylpyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide

C16H19N3O — CID 146656895

IUPACN-[(3R)-1-ethynylpyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide
SMILESC#CN1CC[C@@H](NC(=O)N2CC(c3ccccc3)C2)C1
InChIInChI=1S/C16H19N3O/c1-2-18-9-8-15(12-18)17-16(20)19-10-14(11-19)13-6-4-3-5-7-13/h1,3-7,14-15H,8-12H2,(H,17,20)/t15-/m1/s1
InChIKeyGQSWREUHWDTFKL-OAHLLOKOSA-N
MW269.35 g/mol
LogP1.46
Rot. Bonds2

About N-[(3R)-1-ethynylpyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide

N-[(3R)-1-ethynylpyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide (PubChem CID 146656895) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(3R)-1-ethynylpyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-ethynylpyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide
PubChem CID146656895
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(3R)-1-ethynylpyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide
SMILESC#CN1CC[C@@H](NC(=O)N2CC(c3ccccc3)C2)C1
InChIInChI=1S/C16H19N3O/c1-2-18-9-8-15(12-18)17-16(20)19-10-14(11-19)13-6-4-3-5-7-13/h1,3-7,14-15H,8-12H2,(H,17,20)/t15-/m1/s1
InChIKeyGQSWREUHWDTFKL-OAHLLOKOSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3R)-1-ethynylpyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 31899116
CID 31899116
(S)-N-phenethyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418549
4-ethyl-N-((1R,2S)-2-phenylcyclopropyl)piperazine-1-carboxamide
CID 44418566
1-Biphenyl-2-ylmethyl-3,3-dimethyl-1-(S)-pyrrolidin-3-yl-urea
CID 44578375
US9670210, Example 13 Trans-2-phenyl-N-[(1-{[4-(trifluoromethyl)piperidin-1-yl]carbonyl}azetidin-3-yl)methyl]cyclopropanamine
CID 118290847
US10343992, Example 5
CID 122590392
US10343992, Example 207
CID 122590561
US10343992, Example 189
CID 122590629
US10343992, Example 191
CID 122590645
N-((R)-1-cyanopyrrolidin-3-yl)-3-phenylpyrrolidine-1-carboxamide
CID 122590666
US10343992, Example 192
CID 122590671
US10343992, Example 193
CID 122590925

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-ethynylpyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide?
The IUPAC name of N-[(3R)-1-ethynylpyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide (CID 146656895) is N-[(3R)-1-ethynylpyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide.
What is the SMILES notation for N-[(3R)-1-ethynylpyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide?
The canonical SMILES for N-[(3R)-1-ethynylpyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide is C#CN1CC[C@@H](NC(=O)N2CC(c3ccccc3)C2)C1.
What is the InChIKey of N-[(3R)-1-ethynylpyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide?
The InChIKey is GQSWREUHWDTFKL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-18-9-8-15(12-18)17-16(20)19-10-14(11-19)13-6-4-3-5-7-13/h1,3-7,14-15H,8-12H2,(H,17,20)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-ethynylpyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide?
N-[(3R)-1-ethynylpyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-ethynylpyrrolidin-3-yl]-3-phenylazetidine-1-carboxamide is sourced from PubChem (CID 146656895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).