2-(4-chloro-2,6-dimethylphenoxy)-4-[[(2S)-1-hydroxybutan-2-yl]amino]-N,6-dimethylpyridine-3-carboxamide

C20H26ClN3O3 — CID 24768328

IUPAC2-(4-chloro-2,6-dimethylphenoxy)-4-[[(2S)-1-hydroxybutan-2-yl]amino]-N,6-dimethylpyridine-3-carboxamide
SMILESCC[C@@H](CO)Nc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C(=O)NC
InChIInChI=1S/C20H26ClN3O3/c1-6-15(10-25)24-16-9-13(4)23-20(17(16)19(26)22-5)27-18-11(2)7-14(21)8-12(18)3/h7-9,15,25H,6,10H2,1-5H3,(H,22,26)(H,23,24)/t15-/m0/s1
InChIKeyPBZWSSIFISEGAS-HNNXBMFYSA-N
MW391.90 g/mol
LogP3.99
Rot. Bonds7

About 2-(4-chloro-2,6-dimethylphenoxy)-4-[[(2S)-1-hydroxybutan-2-yl]amino]-N,6-dimethylpyridine-3-carboxamide

2-(4-chloro-2,6-dimethylphenoxy)-4-[[(2S)-1-hydroxybutan-2-yl]amino]-N,6-dimethylpyridine-3-carboxamide (PubChem CID 24768328) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethylphenoxy)-4-[[(2S)-1-hydroxybutan-2-yl]amino]-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethylphenoxy)-4-[[(2S)-1-hydroxybutan-2-yl]amino]-N,6-dimethylpyridine-3-carboxamide
PubChem CID24768328
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC Name2-(4-chloro-2,6-dimethylphenoxy)-4-[[(2S)-1-hydroxybutan-2-yl]amino]-N,6-dimethylpyridine-3-carboxamide
SMILESCC[C@@H](CO)Nc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C(=O)NC
InChIInChI=1S/C20H26ClN3O3/c1-6-15(10-25)24-16-9-13(4)23-20(17(16)19(26)22-5)27-18-11(2)7-14(21)8-12(18)3/h7-9,15,25H,6,10H2,1-5H3,(H,22,26)(H,23,24)/t15-/m0/s1
InChIKeyPBZWSSIFISEGAS-HNNXBMFYSA-N
XLogP3.99
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-4-[[(2S)-1-hydroxybutan-2-yl]amino]-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-4-[[(2S)-1-hydroxybutan-2-yl]amino]-N,6-dimethylpyridine-3-carboxamide (CID 24768328) is 2-(4-chloro-2,6-dimethylphenoxy)-4-[[(2S)-1-hydroxybutan-2-yl]amino]-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-(4-chloro-2,6-dimethylphenoxy)-4-[[(2S)-1-hydroxybutan-2-yl]amino]-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-(4-chloro-2,6-dimethylphenoxy)-4-[[(2S)-1-hydroxybutan-2-yl]amino]-N,6-dimethylpyridine-3-carboxamide is CC[C@@H](CO)Nc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C(=O)NC.
What is the InChIKey of 2-(4-chloro-2,6-dimethylphenoxy)-4-[[(2S)-1-hydroxybutan-2-yl]amino]-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is PBZWSSIFISEGAS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c1-6-15(10-25)24-16-9-13(4)23-20(17(16)19(26)22-5)27-18-11(2)7-14(21)8-12(18)3/h7-9,15,25H,6,10H2,1-5H3,(H,22,26)(H,23,24)/t15-/m0/s1.
What are the key properties of 2-(4-chloro-2,6-dimethylphenoxy)-4-[[(2S)-1-hydroxybutan-2-yl]amino]-N,6-dimethylpyridine-3-carboxamide?
2-(4-chloro-2,6-dimethylphenoxy)-4-[[(2S)-1-hydroxybutan-2-yl]amino]-N,6-dimethylpyridine-3-carboxamide has a molecular weight of 391.90 g/mol, XLogP of 3.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-dimethylphenoxy)-4-[[(2S)-1-hydroxybutan-2-yl]amino]-N,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 24768328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).