N-[3-acetamido-4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide

C17H18N4O3 — CID 167496013

IUPACN-[3-acetamido-4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Oc2ncc(C)cc2N)c(NC(C)=O)c1
InChIInChI=1S/C17H18N4O3/c1-4-16(23)21-12-5-6-15(14(8-12)20-11(3)22)24-17-13(18)7-10(2)9-19-17/h4-9H,1,18H2,2-3H3,(H,20,22)(H,21,23)
InChIKeyZLXCRFBJCJHDNG-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.85
Rot. Bonds5

About N-[3-acetamido-4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide

N-[3-acetamido-4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide (PubChem CID 167496013) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[3-acetamido-4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-acetamido-4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide
PubChem CID167496013
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-[3-acetamido-4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Oc2ncc(C)cc2N)c(NC(C)=O)c1
InChIInChI=1S/C17H18N4O3/c1-4-16(23)21-12-5-6-15(14(8-12)20-11(3)22)24-17-13(18)7-10(2)9-19-17/h4-9H,1,18H2,2-3H3,(H,20,22)(H,21,23)
InChIKeyZLXCRFBJCJHDNG-UHFFFAOYSA-N
XLogP2.85
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3-amino-5-methyl-2-pyridinyl)oxy]-3-prop-2-ynoxyphenyl]prop-2-enamide
CID 167495896
N-[3-cyano-4-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenyl]prop-2-enamide
CID 167495922
N-(4-amino-3-methylphenyl)prop-2-enamide
CID 90104581
N-[3-chloro-4-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5-methyl-2-pyridinyl]oxy]phenyl]prop-2-enamide
CID 167495878
N-(3,4-diethoxyphenyl)prop-2-enamide
CID 43616319
N-[2-(5-aminopyrimidin-4-yl)oxyphenyl]acetamide
CID 79917590
N-[3-(2,5-dichloropyrimidin-4-yl)oxy-4-fluorophenyl]prop-2-enamide
CID 163280499
N-[4-(2,6-dimethylphenoxy)-3-[2-methyl-1-oxo-7-(2-oxopropyl)-2,6-naphthyridin-4-yl]phenyl]prop-2-enamide
CID 159210071
N-(4-amino-3-pyridinyl)acetamide
CID 11593462
N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 63327303
N-(4-acetamido-3-methylphenyl)-3-(prop-2-enoylamino)benzamide
CID 176973912
N-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 175055653

Frequently Asked Questions

What is the IUPAC name of N-[3-acetamido-4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide?
The IUPAC name of N-[3-acetamido-4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide (CID 167496013) is N-[3-acetamido-4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-acetamido-4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-acetamido-4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(Oc2ncc(C)cc2N)c(NC(C)=O)c1.
What is the InChIKey of N-[3-acetamido-4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide?
The InChIKey is ZLXCRFBJCJHDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-4-16(23)21-12-5-6-15(14(8-12)20-11(3)22)24-17-13(18)7-10(2)9-19-17/h4-9H,1,18H2,2-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-acetamido-4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide?
N-[3-acetamido-4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide has a molecular weight of 326.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide is sourced from PubChem (CID 167496013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).