N-[2-[[2-(4-chlorophenoxy)propanoylamino]methyl]phenyl]pyridine-3-carboxamide

C22H20ClN3O3 — CID 108925952

IUPACN-[2-[[2-(4-chlorophenoxy)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C22H20ClN3O3/c1-15(29-19-10-8-18(23)9-11-19)21(27)25-14-16-5-2-3-7-20(16)26-22(28)17-6-4-12-24-13-17/h2-13,15H,14H2,1H3,(H,25,27)(H,26,28)
InChIKeySAXYODYGVAHUFS-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.07
Rot. Bonds7

About N-[2-[[2-(4-chlorophenoxy)propanoylamino]methyl]phenyl]pyridine-3-carboxamide

N-[2-[[2-(4-chlorophenoxy)propanoylamino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108925952) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is N-[2-[[2-(4-chlorophenoxy)propanoylamino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(4-chlorophenoxy)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID108925952
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC NameN-[2-[[2-(4-chlorophenoxy)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C22H20ClN3O3/c1-15(29-19-10-8-18(23)9-11-19)21(27)25-14-16-5-2-3-7-20(16)26-22(28)17-6-4-12-24-13-17/h2-13,15H,14H2,1H3,(H,25,27)(H,26,28)
InChIKeySAXYODYGVAHUFS-UHFFFAOYSA-N
XLogP4.07
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 800409
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
[3-[[2-[[2-(4-hydroxyphenoxy)propanoylamino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928616
N-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926070
N-[2-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926052
N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926051
N-[2-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108925906
N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926036
N-[3-[2-(4-propan-2-ylphenoxy)propanoylamino]propyl]pyridine-3-carboxamide
CID 108926615
N-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925899
[4-[[2-[2-(4-chlorophenoxy)propanoylamino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate
CID 108931608
N-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925861

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-chlorophenoxy)propanoylamino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[2-(4-chlorophenoxy)propanoylamino]methyl]phenyl]pyridine-3-carboxamide (CID 108925952) is N-[2-[[2-(4-chlorophenoxy)propanoylamino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[2-(4-chlorophenoxy)propanoylamino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[2-(4-chlorophenoxy)propanoylamino]methyl]phenyl]pyridine-3-carboxamide is CC(Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[2-[[2-(4-chlorophenoxy)propanoylamino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is SAXYODYGVAHUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c1-15(29-19-10-8-18(23)9-11-19)21(27)25-14-16-5-2-3-7-20(16)26-22(28)17-6-4-12-24-13-17/h2-13,15H,14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-[[2-(4-chlorophenoxy)propanoylamino]methyl]phenyl]pyridine-3-carboxamide?
N-[2-[[2-(4-chlorophenoxy)propanoylamino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 409.87 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-chlorophenoxy)propanoylamino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).