N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-pyridin-4-ylazetidine-1-carboxamide

C21H25N3O — CID 126442996

IUPACN-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-pyridin-4-ylazetidine-1-carboxamide
SMILESCC1(C)C[C@]1(CNC(=O)N1CC(c2ccncc2)C1)c1ccccc1
InChIInChI=1S/C21H25N3O/c1-20(2)14-21(20,18-6-4-3-5-7-18)15-23-19(25)24-12-17(13-24)16-8-10-22-11-9-16/h3-11,17H,12-15H2,1-2H3,(H,23,25)/t21-/m0/s1
InChIKeyGDOUAFSDGDTOKJ-NRFANRHFSA-N
MW335.45 g/mol
LogP3.56
Rot. Bonds4

About N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-pyridin-4-ylazetidine-1-carboxamide

N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-pyridin-4-ylazetidine-1-carboxamide (PubChem CID 126442996) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-pyridin-4-ylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-pyridin-4-ylazetidine-1-carboxamide
PubChem CID126442996
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-pyridin-4-ylazetidine-1-carboxamide
SMILESCC1(C)C[C@]1(CNC(=O)N1CC(c2ccncc2)C1)c1ccccc1
InChIInChI=1S/C21H25N3O/c1-20(2)14-21(20,18-6-4-3-5-7-18)15-23-19(25)24-12-17(13-24)16-8-10-22-11-9-16/h3-11,17H,12-15H2,1-2H3,(H,23,25)/t21-/m0/s1
InChIKeyGDOUAFSDGDTOKJ-NRFANRHFSA-N
XLogP3.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-pyridin-4-ylazetidine-1-carboxamide?
The IUPAC name of N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-pyridin-4-ylazetidine-1-carboxamide (CID 126442996) is N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-pyridin-4-ylazetidine-1-carboxamide.
What is the SMILES notation for N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-pyridin-4-ylazetidine-1-carboxamide?
The canonical SMILES for N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-pyridin-4-ylazetidine-1-carboxamide is CC1(C)C[C@]1(CNC(=O)N1CC(c2ccncc2)C1)c1ccccc1.
What is the InChIKey of N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-pyridin-4-ylazetidine-1-carboxamide?
The InChIKey is GDOUAFSDGDTOKJ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H25N3O/c1-20(2)14-21(20,18-6-4-3-5-7-18)15-23-19(25)24-12-17(13-24)16-8-10-22-11-9-16/h3-11,17H,12-15H2,1-2H3,(H,23,25)/t21-/m0/s1.
What are the key properties of N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-pyridin-4-ylazetidine-1-carboxamide?
N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-pyridin-4-ylazetidine-1-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-pyridin-4-ylazetidine-1-carboxamide is sourced from PubChem (CID 126442996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).