N-[[4-chloro-3-[4-methoxy-6-(6-pentan-2-yloxy-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethyl-2-methoxybutanamide

C28H36ClN5O4 — CID 175129781

IUPACN-[[4-chloro-3-[4-methoxy-6-(6-pentan-2-yloxy-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethyl-2-methoxybutanamide
SMILESCCCC(C)Oc1ccc(-c2nc(OC)nc(-c3cc(CNC(=O)C(CC)(CC)OC)ccc3Cl)n2)cn1
InChIInChI=1S/C28H36ClN5O4/c1-7-10-18(4)38-23-14-12-20(17-30-23)24-32-25(34-27(33-24)36-5)21-15-19(11-13-22(21)29)16-31-26(35)28(8-2,9-3)37-6/h11-15,17-18H,7-10,16H2,1-6H3,(H,31,35)
InChIKeyZIMDVODMZSAMEC-UHFFFAOYSA-N
MW542.08 g/mol
LogP5.65
Rot. Bonds13

About N-[[4-chloro-3-[4-methoxy-6-(6-pentan-2-yloxy-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethyl-2-methoxybutanamide

N-[[4-chloro-3-[4-methoxy-6-(6-pentan-2-yloxy-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethyl-2-methoxybutanamide (PubChem CID 175129781) has the molecular formula C28H36ClN5O4 and a molecular weight of 542.08 g/mol. Its IUPAC name is N-[[4-chloro-3-[4-methoxy-6-(6-pentan-2-yloxy-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethyl-2-methoxybutanamide.

Molecular Properties

Compound NameN-[[4-chloro-3-[4-methoxy-6-(6-pentan-2-yloxy-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethyl-2-methoxybutanamide
PubChem CID175129781
Molecular FormulaC28H36ClN5O4
Molecular Weight542.08 g/mol
Exact Mass541.25
IUPAC NameN-[[4-chloro-3-[4-methoxy-6-(6-pentan-2-yloxy-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethyl-2-methoxybutanamide
SMILESCCCC(C)Oc1ccc(-c2nc(OC)nc(-c3cc(CNC(=O)C(CC)(CC)OC)ccc3Cl)n2)cn1
InChIInChI=1S/C28H36ClN5O4/c1-7-10-18(4)38-23-14-12-20(17-30-23)24-32-25(34-27(33-24)36-5)21-15-19(11-13-22(21)29)16-31-26(35)28(8-2,9-3)37-6/h11-15,17-18H,7-10,16H2,1-6H3,(H,31,35)
InChIKeyZIMDVODMZSAMEC-UHFFFAOYSA-N
XLogP5.65
TPSA108.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.08
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[4-chloro-3-[4-methoxy-6-(6-pentan-2-yloxy-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethyl-2-methoxybutanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[4-chloro-3-[6-oxo-4-[6-[(2S)-pentan-2-yl]oxy-3-pyridinyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2-methoxy-2-(trifluoromethyl)butanamide
CID 137159654
N-[[4-chloro-3-[6-oxo-4-[6-[(2R)-pentan-2-yl]oxy-3-pyridinyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethyl-2-(fluoromethyl)butanamide
CID 137159780
6-[2-chloro-5-[3-oxo-3-[1-(trifluoromethyl)cyclopentyl]propyl]phenyl]-4-[6-[(2S)-pentan-2-yl]oxy-3-pyridinyl]-1H-1,3,5-triazin-2-one
CID 160964661
N-[[4-chloro-3-[4-[6-(2-methylpropoxy)-3-pyridinyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
CID 136964706
6-[2-chloro-5-[3-[1-(fluoromethyl)cyclohexyl]-3-oxopropyl]phenyl]-4-[6-[(2R)-pentan-2-yl]oxy-3-pyridinyl]-1H-1,3,5-triazin-2-one
CID 157470405
6-[2-chloro-5-[3-[1-(fluoromethyl)cyclohexyl]-3-oxopropyl]phenyl]-4-[6-[(2S)-pentan-2-yl]oxy-3-pyridinyl]-1H-1,3,5-triazin-2-one
CID 157470404
[4-[4-[2-chloro-5-[[(3,3,3-trifluoro-2,2-dimethylpropanoyl)amino]methyl]phenyl]-6-methoxy-1,3,5-triazin-2-yl]phenyl] 3,3,3-trifluoro-2,2-dimethylpropanoate
CID 118380421
N-[[4-chloro-3-[4-(6-hexoxy-3-pyridinyl)-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
CID 137159643
N-[[4-chloro-3-[4-[6-(4-methoxybutoxy)-3-pyridinyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
CID 137159664
N-[[4-chloro-3-[4-(6-ethoxy-3-pyridinyl)-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide
CID 137159659
N-[[4-chloro-3-[6-oxo-4-(4-propan-2-yloxyphenyl)-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide
CID 136965052
1-[3-[4-(3-tert-butylphenyl)-6-methoxy-1,3,5-triazin-2-yl]-4-chlorophenyl]-N-chloromethanamine
CID 126641645

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-[4-methoxy-6-(6-pentan-2-yloxy-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethyl-2-methoxybutanamide?
The IUPAC name of N-[[4-chloro-3-[4-methoxy-6-(6-pentan-2-yloxy-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethyl-2-methoxybutanamide (CID 175129781) is N-[[4-chloro-3-[4-methoxy-6-(6-pentan-2-yloxy-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethyl-2-methoxybutanamide.
What is the SMILES notation for N-[[4-chloro-3-[4-methoxy-6-(6-pentan-2-yloxy-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethyl-2-methoxybutanamide?
The canonical SMILES for N-[[4-chloro-3-[4-methoxy-6-(6-pentan-2-yloxy-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethyl-2-methoxybutanamide is CCCC(C)Oc1ccc(-c2nc(OC)nc(-c3cc(CNC(=O)C(CC)(CC)OC)ccc3Cl)n2)cn1.
What is the InChIKey of N-[[4-chloro-3-[4-methoxy-6-(6-pentan-2-yloxy-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethyl-2-methoxybutanamide?
The InChIKey is ZIMDVODMZSAMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36ClN5O4/c1-7-10-18(4)38-23-14-12-20(17-30-23)24-32-25(34-27(33-24)36-5)21-15-19(11-13-22(21)29)16-31-26(35)28(8-2,9-3)37-6/h11-15,17-18H,7-10,16H2,1-6H3,(H,31,35).
What are the key properties of N-[[4-chloro-3-[4-methoxy-6-(6-pentan-2-yloxy-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethyl-2-methoxybutanamide?
N-[[4-chloro-3-[4-methoxy-6-(6-pentan-2-yloxy-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethyl-2-methoxybutanamide has a molecular weight of 542.08 g/mol, XLogP of 5.65, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-[4-methoxy-6-(6-pentan-2-yloxy-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethyl-2-methoxybutanamide is sourced from PubChem (CID 175129781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).