trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide

C25H23N3O4 — CID 129243991

IUPACtrans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESN#Cc1cc(-c2ccnc(NC(=O)[C@@H]3C[C@H]3c3ccco3)c2)ccc1OC1CCOCC1
InChIInChI=1S/C25H23N3O4/c26-15-18-12-16(3-4-22(18)32-19-6-10-30-11-7-19)17-5-8-27-24(13-17)28-25(29)21-14-20(21)23-2-1-9-31-23/h1-5,8-9,12-13,19-21H,6-7,10-11,14H2,(H,27,28,29)/t20-,21-/m1/s1
InChIKeyNFTSIQXOJNQEKS-NHCUHLMSSA-N
MW429.48 g/mol
LogP4.51
Rot. Bonds6

About trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 129243991) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID129243991
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Nametrans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESN#Cc1cc(-c2ccnc(NC(=O)[C@@H]3C[C@H]3c3ccco3)c2)ccc1OC1CCOCC1
InChIInChI=1S/C25H23N3O4/c26-15-18-12-16(3-4-22(18)32-19-6-10-30-11-7-19)17-5-8-27-24(13-17)28-25(29)21-14-20(21)23-2-1-9-31-23/h1-5,8-9,12-13,19-21H,6-7,10-11,14H2,(H,27,28,29)/t20-,21-/m1/s1
InChIKeyNFTSIQXOJNQEKS-NHCUHLMSSA-N
XLogP4.51
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-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 trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 129243991) is trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide is N#Cc1cc(-c2ccnc(NC(=O)[C@@H]3C[C@H]3c3ccco3)c2)ccc1OC1CCOCC1.
What is the InChIKey of trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is NFTSIQXOJNQEKS-NHCUHLMSSA-N. The full InChI is InChI=1S/C25H23N3O4/c26-15-18-12-16(3-4-22(18)32-19-6-10-30-11-7-19)17-5-8-27-24(13-17)28-25(29)21-14-20(21)23-2-1-9-31-23/h1-5,8-9,12-13,19-21H,6-7,10-11,14H2,(H,27,28,29)/t20-,21-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 129243991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).