2-(4-chlorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide

C19H21ClN2O3 — CID 91760458

IUPAC2-(4-chlorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
SMILESCOc1ccc(C(NC(=O)Cc2ccc(Cl)cc2)C2CC(O)C2)cn1
InChIInChI=1S/C19H21ClN2O3/c1-25-18-7-4-13(11-21-18)19(14-9-16(23)10-14)22-17(24)8-12-2-5-15(20)6-3-12/h2-7,11,14,16,19,23H,8-10H2,1H3,(H,22,24)
InChIKeyXVGGOBNPSRJHCR-UHFFFAOYSA-N
MW360.84 g/mol
LogP2.91
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide

2-(4-chlorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide (PubChem CID 91760458) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
PubChem CID91760458
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-(4-chlorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
SMILESCOc1ccc(C(NC(=O)Cc2ccc(Cl)cc2)C2CC(O)C2)cn1
InChIInChI=1S/C19H21ClN2O3/c1-25-18-7-4-13(11-21-18)19(14-9-16(23)10-14)22-17(24)8-12-2-5-15(20)6-3-12/h2-7,11,14,16,19,23H,8-10H2,1H3,(H,22,24)
InChIKeyXVGGOBNPSRJHCR-UHFFFAOYSA-N
XLogP2.91
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
CID 91790696
2-(2-chloro-6-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
CID 91772588
2-(2,3-difluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
CID 91783663
2-(2,4-difluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
CID 91785366
2-cyclopentyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
CID 91772366
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 91766472
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
CID 136662146
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 91773303
2,3-difluoro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methoxybenzamide
CID 91768425
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide
CID 91778211
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-3-carboxamide
CID 91784748
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 91772790

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide (CID 91760458) is 2-(4-chlorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide is COc1ccc(C(NC(=O)Cc2ccc(Cl)cc2)C2CC(O)C2)cn1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide?
The InChIKey is XVGGOBNPSRJHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-25-18-7-4-13(11-21-18)19(14-9-16(23)10-14)22-17(24)8-12-2-5-15(20)6-3-12/h2-7,11,14,16,19,23H,8-10H2,1H3,(H,22,24).
What are the key properties of 2-(4-chlorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide?
2-(4-chlorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide has a molecular weight of 360.84 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 91760458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).