N-[3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenyl]acetamide

C22H23N3O4 — CID 11574718

IUPACN-[3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenyl]acetamide
SMILESCOc1cc(Nc2cncc(-c3cccc(NC(C)=O)c3)c2)cc(OC)c1OC
InChIInChI=1S/C22H23N3O4/c1-14(26)24-17-7-5-6-15(8-17)16-9-19(13-23-12-16)25-18-10-20(27-2)22(29-4)21(11-18)28-3/h5-13,25H,1-4H3,(H,24,26)
InChIKeyRFWVAJYFTBJQFF-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.48
Rot. Bonds7

About N-[3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenyl]acetamide

N-[3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenyl]acetamide (PubChem CID 11574718) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenyl]acetamide
PubChem CID11574718
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenyl]acetamide
SMILESCOc1cc(Nc2cncc(-c3cccc(NC(C)=O)c3)c2)cc(OC)c1OC
InChIInChI=1S/C22H23N3O4/c1-14(26)24-17-7-5-6-15(8-17)16-9-19(13-23-12-16)25-18-10-20(27-2)22(29-4)21(11-18)28-3/h5-13,25H,1-4H3,(H,24,26)
InChIKeyRFWVAJYFTBJQFF-UHFFFAOYSA-N
XLogP4.48
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Acetamide, N-[3-[6-[(3,4,5-trimethoxyphenyl)amino]pyrazinyl]phenyl]-
CID 11682654
5-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-3-amine
CID 16749217
1-Phenyl-3-(4-{6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-yl}phenyl)urea
CID 24879141
(E)-N-pyridin-3-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 797814
1-Quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)urea
CID 1075620
N-(3,4-Dimethoxy-phenyl)-N'-quinolin-8-yl-oxalamide
CID 24746898
1-(Pyridin-4-ylmethyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 2330745
Nat2-IN-1
CID 11515868
3-(4-tert-butylphenyl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(pyridin-3-yl)acrylamide
CID 11750331
6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 155557161
6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 155562950
6-(6-methoxy-3-pyridinyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 155563289

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenyl]acetamide (CID 11574718) is N-[3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenyl]acetamide is COc1cc(Nc2cncc(-c3cccc(NC(C)=O)c3)c2)cc(OC)c1OC.
What is the InChIKey of N-[3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenyl]acetamide?
The InChIKey is RFWVAJYFTBJQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-14(26)24-17-7-5-6-15(8-17)16-9-19(13-23-12-16)25-18-10-20(27-2)22(29-4)21(11-18)28-3/h5-13,25H,1-4H3,(H,24,26).
What are the key properties of N-[3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenyl]acetamide?
N-[3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenyl]acetamide has a molecular weight of 393.44 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 11574718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).