N-[(3S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C23H19F4N3O4 — CID 66814019

IUPACN-[(3S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCOc1ncc(-c2cccc3c2C[C@H](NC(=O)c2ccc(OCC(F)(F)F)nc2)CO3)cc1F
InChIInChI=1S/C23H19F4N3O4/c1-32-22-18(24)7-14(10-29-22)16-3-2-4-19-17(16)8-15(11-33-19)30-21(31)13-5-6-20(28-9-13)34-12-23(25,26)27/h2-7,9-10,15H,8,11-12H2,1H3,(H,30,31)/t15-/m0/s1
InChIKeyZTCPMSPMGABOTJ-HNNXBMFYSA-N
MW477.41 g/mol
LogP3.97
Rot. Bonds6

About N-[(3S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[(3S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 66814019) has the molecular formula C23H19F4N3O4 and a molecular weight of 477.41 g/mol. Its IUPAC name is N-[(3S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID66814019
Molecular FormulaC23H19F4N3O4
Molecular Weight477.41 g/mol
Exact Mass477.13
IUPAC NameN-[(3S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCOc1ncc(-c2cccc3c2C[C@H](NC(=O)c2ccc(OCC(F)(F)F)nc2)CO3)cc1F
InChIInChI=1S/C23H19F4N3O4/c1-32-22-18(24)7-14(10-29-22)16-3-2-4-19-17(16)8-15(11-33-19)30-21(31)13-5-6-20(28-9-13)34-12-23(25,26)27/h2-7,9-10,15H,8,11-12H2,1H3,(H,30,31)/t15-/m0/s1
InChIKeyZTCPMSPMGABOTJ-HNNXBMFYSA-N
XLogP3.97
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-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 N-[(3S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(3S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 66814019) is N-[(3S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(3S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is COc1ncc(-c2cccc3c2C[C@H](NC(=O)c2ccc(OCC(F)(F)F)nc2)CO3)cc1F.
What is the InChIKey of N-[(3S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is ZTCPMSPMGABOTJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H19F4N3O4/c1-32-22-18(24)7-14(10-29-22)16-3-2-4-19-17(16)8-15(11-33-19)30-21(31)13-5-6-20(28-9-13)34-12-23(25,26)27/h2-7,9-10,15H,8,11-12H2,1H3,(H,30,31)/t15-/m0/s1.
What are the key properties of N-[(3S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[(3S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 477.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 66814019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).