N-[4-[3-(4-cyanophenyl)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide

C23H20N4O3 — CID 33494417

IUPACN-[4-[3-(4-cyanophenyl)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)CCc2ccc(C#N)cc2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C23H20N4O3/c1-30-21-13-19(9-10-20(21)27-23(29)18-3-2-12-25-15-18)26-22(28)11-8-16-4-6-17(14-24)7-5-16/h2-7,9-10,12-13,15H,8,11H2,1H3,(H,26,28)(H,27,29)
InChIKeyOLDAWBFVWIDISK-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.79
Rot. Bonds7

About N-[4-[3-(4-cyanophenyl)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide

N-[4-[3-(4-cyanophenyl)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide (PubChem CID 33494417) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[4-[3-(4-cyanophenyl)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(4-cyanophenyl)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
PubChem CID33494417
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC NameN-[4-[3-(4-cyanophenyl)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)CCc2ccc(C#N)cc2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C23H20N4O3/c1-30-21-13-19(9-10-20(21)27-23(29)18-3-2-12-25-15-18)26-22(28)11-8-16-4-6-17(14-24)7-5-16/h2-7,9-10,12-13,15H,8,11H2,1H3,(H,26,28)(H,27,29)
InChIKeyOLDAWBFVWIDISK-UHFFFAOYSA-N
XLogP3.79
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 33497824
N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide
CID 38661659
N-[4-(4-benzamidobutanoylamino)-2-methoxyphenyl]pyridine-3-carboxamide
CID 33492420
N-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 38660436
N-[2-methoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 38661253
N-[2-methoxy-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]pyridine-3-carboxamide
CID 33491810
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
N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 119845805
N-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925746
N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-cyanophenyl)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[3-(4-cyanophenyl)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide (CID 33494417) is N-[4-[3-(4-cyanophenyl)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[3-(4-cyanophenyl)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[3-(4-cyanophenyl)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide is COc1cc(NC(=O)CCc2ccc(C#N)cc2)ccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[4-[3-(4-cyanophenyl)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide?
The InChIKey is OLDAWBFVWIDISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-30-21-13-19(9-10-20(21)27-23(29)18-3-2-12-25-15-18)26-22(28)11-8-16-4-6-17(14-24)7-5-16/h2-7,9-10,12-13,15H,8,11H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-[3-(4-cyanophenyl)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide?
N-[4-[3-(4-cyanophenyl)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-cyanophenyl)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 33494417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).