6-[4-[[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide

C26H29N3O3 — CID 92620815

IUPAC6-[4-[[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(CNC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)cc2)nc1C
InChIInChI=1S/C26H29N3O3/c1-16-6-11-22(14-17(16)2)32-19(4)25(30)28-15-20-7-9-21(10-8-20)24-13-12-23(18(3)29-24)26(31)27-5/h6-14,19H,15H2,1-5H3,(H,27,31)(H,28,30)/t19-/m1/s1
InChIKeyCDPKAANBYZVDOR-LJQANCHMSA-N
MW431.54 g/mol
LogP4.12
Rot. Bonds7

About 6-[4-[[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide

6-[4-[[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide (PubChem CID 92620815) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 6-[4-[[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide
PubChem CID92620815
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name6-[4-[[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(CNC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)cc2)nc1C
InChIInChI=1S/C26H29N3O3/c1-16-6-11-22(14-17(16)2)32-19(4)25(30)28-15-20-7-9-21(10-8-20)24-13-12-23(18(3)29-24)26(31)27-5/h6-14,19H,15H2,1-5H3,(H,27,31)(H,28,30)/t19-/m1/s1
InChIKeyCDPKAANBYZVDOR-LJQANCHMSA-N
XLogP4.12
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[4-[[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide with MolForge

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Related Compounds

6-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide
CID 92620909
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
(2R)-2-(3,4-dimethylphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819793
N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide
CID 132655758
2-(4-methylphenoxy)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]propanamide
CID 24509083
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide
CID 53286233
(2R)-2-(3,4-dimethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26819647
2-methyl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbohydrazide
CID 82453181
(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-[(4-methylphenyl)methyl]propanamide
CID 8949471
2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 6490042
(2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35342066

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide (CID 92620815) is 6-[4-[[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide is CNC(=O)c1ccc(-c2ccc(CNC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)cc2)nc1C.
What is the InChIKey of 6-[4-[[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide?
The InChIKey is CDPKAANBYZVDOR-LJQANCHMSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-16-6-11-22(14-17(16)2)32-19(4)25(30)28-15-20-7-9-21(10-8-20)24-13-12-23(18(3)29-24)26(31)27-5/h6-14,19H,15H2,1-5H3,(H,27,31)(H,28,30)/t19-/m1/s1.
What are the key properties of 6-[4-[[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide?
6-[4-[[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 92620815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).