N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide

C22H25N3O3 — CID 59305557

IUPACN-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide
SMILESCOc1cccc(CN2CCC=C(CCC(=O)Nc3ccccc3N)C2=O)c1
InChIInChI=1S/C22H25N3O3/c1-28-18-8-4-6-16(14-18)15-25-13-5-7-17(22(25)27)11-12-21(26)24-20-10-3-2-9-19(20)23/h2-4,6-10,14H,5,11-13,15,23H2,1H3,(H,24,26)
InChIKeyJMYVANXAPRRUQV-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.36
Rot. Bonds7

About N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide

N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide (PubChem CID 59305557) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide
PubChem CID59305557
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide
SMILESCOc1cccc(CN2CCC=C(CCC(=O)Nc3ccccc3N)C2=O)c1
InChIInChI=1S/C22H25N3O3/c1-28-18-8-4-6-16(14-18)15-25-13-5-7-17(22(25)27)11-12-21(26)24-20-10-3-2-9-19(20)23/h2-4,6-10,14H,5,11-13,15,23H2,1H3,(H,24,26)
InChIKeyJMYVANXAPRRUQV-UHFFFAOYSA-N
XLogP3.36
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]prop-2-enamide
CID 89001839
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CID 35279052
N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119422110
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)propanamide
CID 24543222
N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 112533666
2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 107844845
N-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide
CID 22478895
N-(2-fluorophenyl)-2-[6-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 46341936
N-(2-aminophenyl)-5-[(3-methoxyphenyl)methylamino]-1-benzofuran-2-carboxamide
CID 58930472
methyl 5-[(3-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 1475692
N-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382898
N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide
CID 113220983

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide?
The IUPAC name of N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide (CID 59305557) is N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide is COc1cccc(CN2CCC=C(CCC(=O)Nc3ccccc3N)C2=O)c1.
What is the InChIKey of N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide?
The InChIKey is JMYVANXAPRRUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-28-18-8-4-6-16(14-18)15-25-13-5-7-17(22(25)27)11-12-21(26)24-20-10-3-2-9-19(20)23/h2-4,6-10,14H,5,11-13,15,23H2,1H3,(H,24,26).
What are the key properties of N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide?
N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide has a molecular weight of 379.46 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide is sourced from PubChem (CID 59305557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).