2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide

C10H12ClN3O3 — CID 55140170

IUPAC2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide
SMILESCOc1cc(CNC(=O)NC(=O)CCl)ccn1
InChIInChI=1S/C10H12ClN3O3/c1-17-9-4-7(2-3-12-9)6-13-10(16)14-8(15)5-11/h2-4H,5-6H2,1H3,(H2,13,14,15,16)
InChIKeyKDIQATJZIOBEKB-UHFFFAOYSA-N
MW257.68 g/mol
LogP0.65
Rot. Bonds4

About 2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide

2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide (PubChem CID 55140170) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is 2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide
PubChem CID55140170
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide
SMILESCOc1cc(CNC(=O)NC(=O)CCl)ccn1
InChIInChI=1S/C10H12ClN3O3/c1-17-9-4-7(2-3-12-9)6-13-10(16)14-8(15)5-11/h2-4H,5-6H2,1H3,(H2,13,14,15,16)
InChIKeyKDIQATJZIOBEKB-UHFFFAOYSA-N
XLogP0.65
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 62994356
2-(4-methoxyphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 47019682
N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide
CID 62995403
2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 55142287
2-[2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]ethoxy]acetic acid
CID 79463849
3-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 18167253
N-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide
CID 172903796
1-(2-chloro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 86986628
2-(2,6-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167318
1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032147
1-(3-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032224
1-(3-chloro-4-ethoxyphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 87009935

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide (CID 55140170) is 2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide is COc1cc(CNC(=O)NC(=O)CCl)ccn1.
What is the InChIKey of 2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide?
The InChIKey is KDIQATJZIOBEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c1-17-9-4-7(2-3-12-9)6-13-10(16)14-8(15)5-11/h2-4H,5-6H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide?
2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide has a molecular weight of 257.68 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide is sourced from PubChem (CID 55140170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).