N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-ethyl-N-methyl-6-oxo-1H-pyridine-4-carboxamide

C21H26N2O2 — CID 125161588

IUPACN-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-ethyl-N-methyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCCc1cc(C(=O)N(C)C[C@]2(c3ccccc3)CC2(C)C)cc(=O)[nH]1
InChIInChI=1S/C21H26N2O2/c1-5-17-11-15(12-18(24)22-17)19(25)23(4)14-21(13-20(21,2)3)16-9-7-6-8-10-16/h6-12H,5,13-14H2,1-4H3,(H,22,24)/t21-/m0/s1
InChIKeyINSCFYMBGXMCAP-NRFANRHFSA-N
MW338.45 g/mol
LogP3.38
Rot. Bonds5

About N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-ethyl-N-methyl-6-oxo-1H-pyridine-4-carboxamide

N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-ethyl-N-methyl-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 125161588) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-ethyl-N-methyl-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-ethyl-N-methyl-6-oxo-1H-pyridine-4-carboxamide
PubChem CID125161588
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-ethyl-N-methyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCCc1cc(C(=O)N(C)C[C@]2(c3ccccc3)CC2(C)C)cc(=O)[nH]1
InChIInChI=1S/C21H26N2O2/c1-5-17-11-15(12-18(24)22-17)19(25)23(4)14-21(13-20(21,2)3)16-9-7-6-8-10-16/h6-12H,5,13-14H2,1-4H3,(H,22,24)/t21-/m0/s1
InChIKeyINSCFYMBGXMCAP-NRFANRHFSA-N
XLogP3.38
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.38
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]-2-ethyl-N-methyl-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-ethyl-N-methyl-6-oxo-1H-pyridine-4-carboxamide (CID 125161588) is N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-ethyl-N-methyl-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-ethyl-N-methyl-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-ethyl-N-methyl-6-oxo-1H-pyridine-4-carboxamide is CCc1cc(C(=O)N(C)C[C@]2(c3ccccc3)CC2(C)C)cc(=O)[nH]1.
What is the InChIKey of N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-ethyl-N-methyl-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is INSCFYMBGXMCAP-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-5-17-11-15(12-18(24)22-17)19(25)23(4)14-21(13-20(21,2)3)16-9-7-6-8-10-16/h6-12H,5,13-14H2,1-4H3,(H,22,24)/t21-/m0/s1.
What are the key properties of N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-ethyl-N-methyl-6-oxo-1H-pyridine-4-carboxamide?
N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-ethyl-N-methyl-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.38, 5 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]-2-ethyl-N-methyl-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 125161588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).