(1R)-2,2-difluoro-N-[1-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-3-pyridinyl]-1-methylcyclopropane-1-carboxamide

C17H17F2N3O3 — CID 164640401

IUPAC(1R)-2,2-difluoro-N-[1-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-3-pyridinyl]-1-methylcyclopropane-1-carboxamide
SMILESCOc1cccc(Cn2cccc(NC(=O)[C@@]3(C)CC3(F)F)c2=O)n1
InChIInChI=1S/C17H17F2N3O3/c1-16(10-17(16,18)19)15(24)21-12-6-4-8-22(14(12)23)9-11-5-3-7-13(20-11)25-2/h3-8H,9-10H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyYINZXWHUHKDSMR-MRXNPFEDSA-N
MW349.34 g/mol
LogP2.28
Rot. Bonds5

About (1R)-2,2-difluoro-N-[1-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-3-pyridinyl]-1-methylcyclopropane-1-carboxamide

(1R)-2,2-difluoro-N-[1-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-3-pyridinyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 164640401) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is (1R)-2,2-difluoro-N-[1-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-3-pyridinyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-difluoro-N-[1-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-3-pyridinyl]-1-methylcyclopropane-1-carboxamide
PubChem CID164640401
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Name(1R)-2,2-difluoro-N-[1-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-3-pyridinyl]-1-methylcyclopropane-1-carboxamide
SMILESCOc1cccc(Cn2cccc(NC(=O)[C@@]3(C)CC3(F)F)c2=O)n1
InChIInChI=1S/C17H17F2N3O3/c1-16(10-17(16,18)19)15(24)21-12-6-4-8-22(14(12)23)9-11-5-3-7-13(20-11)25-2/h3-8H,9-10H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyYINZXWHUHKDSMR-MRXNPFEDSA-N
XLogP2.28
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-2,2-difluoro-N-[1-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-3-pyridinyl]-1-methylcyclopropane-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

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-N-[1-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-3-pyridinyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-difluoro-N-[1-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-3-pyridinyl]-1-methylcyclopropane-1-carboxamide (CID 164640401) is (1R)-2,2-difluoro-N-[1-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-3-pyridinyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-difluoro-N-[1-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-3-pyridinyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-difluoro-N-[1-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-3-pyridinyl]-1-methylcyclopropane-1-carboxamide is COc1cccc(Cn2cccc(NC(=O)[C@@]3(C)CC3(F)F)c2=O)n1.
What is the InChIKey of (1R)-2,2-difluoro-N-[1-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-3-pyridinyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is YINZXWHUHKDSMR-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c1-16(10-17(16,18)19)15(24)21-12-6-4-8-22(14(12)23)9-11-5-3-7-13(20-11)25-2/h3-8H,9-10H2,1-2H3,(H,21,24)/t16-/m1/s1.
What are the key properties of (1R)-2,2-difluoro-N-[1-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-3-pyridinyl]-1-methylcyclopropane-1-carboxamide?
(1R)-2,2-difluoro-N-[1-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-3-pyridinyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 349.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-N-[1-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-3-pyridinyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 164640401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).