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

C21H18ClN3O3 — CID 55610413

IUPACN-[3-[2-(3-chlorophenoxy)propanoylamino]phenyl]pyridine-4-carboxamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C21H18ClN3O3/c1-14(28-19-7-2-4-16(22)12-19)20(26)24-17-5-3-6-18(13-17)25-21(27)15-8-10-23-11-9-15/h2-14H,1H3,(H,24,26)(H,25,27)
InChIKeySDWJVINKVIMPHI-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.39
Rot. Bonds6

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

N-[3-[2-(3-chlorophenoxy)propanoylamino]phenyl]pyridine-4-carboxamide (PubChem CID 55610413) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-[3-[2-(3-chlorophenoxy)propanoylamino]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(3-chlorophenoxy)propanoylamino]phenyl]pyridine-4-carboxamide
PubChem CID55610413
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC NameN-[3-[2-(3-chlorophenoxy)propanoylamino]phenyl]pyridine-4-carboxamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C21H18ClN3O3/c1-14(28-19-7-2-4-16(22)12-19)20(26)24-17-5-3-6-18(13-17)25-21(27)15-8-10-23-11-9-15/h2-14H,1H3,(H,24,26)(H,25,27)
InChIKeySDWJVINKVIMPHI-UHFFFAOYSA-N
XLogP4.39
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2931462
N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 9252923
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
(2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide
CID 1313423
N-(3-chlorophenyl)-4-[(2S)-1-[(6-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]oxybenzamide
CID 156704863
(2R)-2-(3-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]propanamide
CID 9497360
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
CID 2231697
2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 11839697
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-chlorophenoxy)propanoylamino]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[2-(3-chlorophenoxy)propanoylamino]phenyl]pyridine-4-carboxamide (CID 55610413) is N-[3-[2-(3-chlorophenoxy)propanoylamino]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[2-(3-chlorophenoxy)propanoylamino]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[2-(3-chlorophenoxy)propanoylamino]phenyl]pyridine-4-carboxamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[3-[2-(3-chlorophenoxy)propanoylamino]phenyl]pyridine-4-carboxamide?
The InChIKey is SDWJVINKVIMPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-14(28-19-7-2-4-16(22)12-19)20(26)24-17-5-3-6-18(13-17)25-21(27)15-8-10-23-11-9-15/h2-14H,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[2-(3-chlorophenoxy)propanoylamino]phenyl]pyridine-4-carboxamide?
N-[3-[2-(3-chlorophenoxy)propanoylamino]phenyl]pyridine-4-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-chlorophenoxy)propanoylamino]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 55610413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).