N-(4-chlorophenyl)-2-[hydroxy(pyridin-3-yl)methyl]prop-2-enamide

C15H13ClN2O2 — CID 11312285

IUPACN-(4-chlorophenyl)-2-[hydroxy(pyridin-3-yl)methyl]prop-2-enamide
SMILESC=C(C(=O)Nc1ccc(Cl)cc1)C(O)c1cccnc1
InChIInChI=1S/C15H13ClN2O2/c1-10(14(19)11-3-2-8-17-9-11)15(20)18-13-6-4-12(16)5-7-13/h2-9,14,19H,1H2,(H,18,20)
InChIKeyNUDAIDLRIZWAGF-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.96
Rot. Bonds4

About N-(4-chlorophenyl)-2-[hydroxy(pyridin-3-yl)methyl]prop-2-enamide

N-(4-chlorophenyl)-2-[hydroxy(pyridin-3-yl)methyl]prop-2-enamide (PubChem CID 11312285) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[hydroxy(pyridin-3-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[hydroxy(pyridin-3-yl)methyl]prop-2-enamide
PubChem CID11312285
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC NameN-(4-chlorophenyl)-2-[hydroxy(pyridin-3-yl)methyl]prop-2-enamide
SMILESC=C(C(=O)Nc1ccc(Cl)cc1)C(O)c1cccnc1
InChIInChI=1S/C15H13ClN2O2/c1-10(14(19)11-3-2-8-17-9-11)15(20)18-13-6-4-12(16)5-7-13/h2-9,14,19H,1H2,(H,18,20)
InChIKeyNUDAIDLRIZWAGF-UHFFFAOYSA-N
XLogP2.96
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
(2R)-N-(4-anilinophenyl)-2-hydroxy-2-pyridin-3-ylacetamide
CID 95763353
N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2244301
(3-hydroxy-3-pyridin-3-ylprop-1-en-2-yl)phosphonic acid
CID 18757044
N,2-dihydroxy-2-pyridin-3-ylacetamide
CID 131036092
1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
N-(4-acetamidophenyl)-2-(4-chlorophenyl)-3-pyridin-3-ylpropanamide
CID 110296801
N-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 10685889
N-(4-chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide
CID 4654702
sodium 2-hydroxy-2-pyridin-3-ylacetate
CID 159760700
methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
CID 146049161
3-[1-chloro-2-(4-chlorophenyl)ethyl]pyridine
CID 63016477

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[hydroxy(pyridin-3-yl)methyl]prop-2-enamide?
The IUPAC name of N-(4-chlorophenyl)-2-[hydroxy(pyridin-3-yl)methyl]prop-2-enamide (CID 11312285) is N-(4-chlorophenyl)-2-[hydroxy(pyridin-3-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[hydroxy(pyridin-3-yl)methyl]prop-2-enamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[hydroxy(pyridin-3-yl)methyl]prop-2-enamide is C=C(C(=O)Nc1ccc(Cl)cc1)C(O)c1cccnc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[hydroxy(pyridin-3-yl)methyl]prop-2-enamide?
The InChIKey is NUDAIDLRIZWAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-10(14(19)11-3-2-8-17-9-11)15(20)18-13-6-4-12(16)5-7-13/h2-9,14,19H,1H2,(H,18,20).
What are the key properties of N-(4-chlorophenyl)-2-[hydroxy(pyridin-3-yl)methyl]prop-2-enamide?
N-(4-chlorophenyl)-2-[hydroxy(pyridin-3-yl)methyl]prop-2-enamide has a molecular weight of 288.73 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[hydroxy(pyridin-3-yl)methyl]prop-2-enamide is sourced from PubChem (CID 11312285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).