4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide

C24H26ClFN4O3 — CID 118211226

IUPAC4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide
SMILESCOC(C)(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NCC(C)O
InChIInChI=1S/C24H26ClFN4O3/c1-14(31)11-29-23(32)17-12-27-8-7-20(17)30-22-10-21(16-9-15(25)5-6-19(16)26)28-13-18(22)24(2,3)33-4/h5-10,12-14,31H,11H2,1-4H3,(H,29,32)(H,27,28,30)
InChIKeyQGMSQMSDEUEWCM-UHFFFAOYSA-N
MW472.95 g/mol
LogP4.67
Rot. Bonds8

About 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide

4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide (PubChem CID 118211226) has the molecular formula C24H26ClFN4O3 and a molecular weight of 472.95 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide
PubChem CID118211226
Molecular FormulaC24H26ClFN4O3
Molecular Weight472.95 g/mol
Exact Mass472.17
IUPAC Name4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide
SMILESCOC(C)(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NCC(C)O
InChIInChI=1S/C24H26ClFN4O3/c1-14(31)11-29-23(32)17-12-27-8-7-20(17)30-22-10-21(16-9-15(25)5-6-19(16)26)28-13-18(22)24(2,3)33-4/h5-10,12-14,31H,11H2,1-4H3,(H,29,32)(H,27,28,30)
InChIKeyQGMSQMSDEUEWCM-UHFFFAOYSA-N
XLogP4.67
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.95
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)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 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide?
The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide (CID 118211226) is 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide is COC(C)(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NCC(C)O.
What is the InChIKey of 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide?
The InChIKey is QGMSQMSDEUEWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O3/c1-14(31)11-29-23(32)17-12-27-8-7-20(17)30-22-10-21(16-9-15(25)5-6-19(16)26)28-13-18(22)24(2,3)33-4/h5-10,12-14,31H,11H2,1-4H3,(H,29,32)(H,27,28,30).
What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide?
4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide has a molecular weight of 472.95 g/mol, XLogP of 4.67, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 118211226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).