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

C21H17F3N4O3 — CID 66813680

IUPACN-[(3S)-5-pyridazin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(N[C@@H]1COc2cccc(-c3ccnnc3)c2C1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C21H17F3N4O3/c22-21(23,24)12-31-19-5-4-14(9-25-19)20(29)28-15-8-17-16(13-6-7-26-27-10-13)2-1-3-18(17)30-11-15/h1-7,9-10,15H,8,11-12H2,(H,28,29)/t15-/m0/s1
InChIKeyZFNRFBPXCBRLRX-HNNXBMFYSA-N
MW430.39 g/mol
LogP3.21
Rot. Bonds5

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

N-[(3S)-5-pyridazin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 66813680) has the molecular formula C21H17F3N4O3 and a molecular weight of 430.39 g/mol. Its IUPAC name is N-[(3S)-5-pyridazin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-5-pyridazin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID66813680
Molecular FormulaC21H17F3N4O3
Molecular Weight430.39 g/mol
Exact Mass430.13
IUPAC NameN-[(3S)-5-pyridazin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(N[C@@H]1COc2cccc(-c3ccnnc3)c2C1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C21H17F3N4O3/c22-21(23,24)12-31-19-5-4-14(9-25-19)20(29)28-15-8-17-16(13-6-7-26-27-10-13)2-1-3-18(17)30-11-15/h1-7,9-10,15H,8,11-12H2,(H,28,29)/t15-/m0/s1
InChIKeyZFNRFBPXCBRLRX-HNNXBMFYSA-N
XLogP3.21
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S)-5-pyridazin-4-yl-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-pyridazin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(3S)-5-pyridazin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 66813680) is N-[(3S)-5-pyridazin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S)-5-pyridazin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(3S)-5-pyridazin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(N[C@@H]1COc2cccc(-c3ccnnc3)c2C1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[(3S)-5-pyridazin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is ZFNRFBPXCBRLRX-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H17F3N4O3/c22-21(23,24)12-31-19-5-4-14(9-25-19)20(29)28-15-8-17-16(13-6-7-26-27-10-13)2-1-3-18(17)30-11-15/h1-7,9-10,15H,8,11-12H2,(H,28,29)/t15-/m0/s1.
What are the key properties of N-[(3S)-5-pyridazin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[(3S)-5-pyridazin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 430.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-pyridazin-4-yl-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 66813680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).