N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide

C25H27N3O6 — CID 33497824

IUPACN-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C25H27N3O6/c1-31-20-14-18(8-9-19(20)28-25(30)17-6-5-11-26-15-17)27-23(29)10-7-16-12-21(32-2)24(34-4)22(13-16)33-3/h5-6,8-9,11-15H,7,10H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyBUUCEDSTZKXXOS-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.94
Rot. Bonds10

About N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide

N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide (PubChem CID 33497824) has the molecular formula C25H27N3O6 and a molecular weight of 465.51 g/mol. Its IUPAC name is N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
PubChem CID33497824
Molecular FormulaC25H27N3O6
Molecular Weight465.51 g/mol
Exact Mass465.19
IUPAC NameN-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C25H27N3O6/c1-31-20-14-18(8-9-19(20)28-25(30)17-6-5-11-26-15-17)27-23(29)10-7-16-12-21(32-2)24(34-4)22(13-16)33-3/h5-6,8-9,11-15H,7,10H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyBUUCEDSTZKXXOS-UHFFFAOYSA-N
XLogP3.94
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[3-(4-cyanophenyl)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 33494417
N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide
CID 38661659
N-[4-(4-benzamidobutanoylamino)-2-methoxyphenyl]pyridine-3-carboxamide
CID 33492420
N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 24570959
N-[2-methoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 38661253
N-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 38660436
1-pyridin-3-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 94921716
N-[2-methoxy-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]pyridine-3-carboxamide
CID 33491810
3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 46487241
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-[2-methoxy-4-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119845814
N-[4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 55760803

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide (CID 33497824) is N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide is COc1cc(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)ccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide?
The InChIKey is BUUCEDSTZKXXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6/c1-31-20-14-18(8-9-19(20)28-25(30)17-6-5-11-26-15-17)27-23(29)10-7-16-12-21(32-2)24(34-4)22(13-16)33-3/h5-6,8-9,11-15H,7,10H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide?
N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide has a molecular weight of 465.51 g/mol, XLogP of 3.94, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 33497824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).