2-chloro-N-(3-methyl-4-pyridinyl)acetamide

C8H9ClN2O — CID 63669851

IUPAC2-chloro-N-(3-methyl-4-pyridinyl)acetamide
SMILESCc1cnccc1NC(=O)CCl
InChIInChI=1S/C8H9ClN2O/c1-6-5-10-3-2-7(6)11-8(12)4-9/h2-3,5H,4H2,1H3,(H,10,11,12)
InChIKeyQUKKDIVGHWYPBB-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.57
Rot. Bonds2

About 2-chloro-N-(3-methyl-4-pyridinyl)acetamide

2-chloro-N-(3-methyl-4-pyridinyl)acetamide (PubChem CID 63669851) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 2-chloro-N-(3-methyl-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-methyl-4-pyridinyl)acetamide
PubChem CID63669851
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name2-chloro-N-(3-methyl-4-pyridinyl)acetamide
SMILESCc1cnccc1NC(=O)CCl
InChIInChI=1S/C8H9ClN2O/c1-6-5-10-3-2-7(6)11-8(12)4-9/h2-3,5H,4H2,1H3,(H,10,11,12)
InChIKeyQUKKDIVGHWYPBB-UHFFFAOYSA-N
XLogP1.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671038
2-anilino-N-(3-methyl-4-pyridinyl)acetamide
CID 63670867
2-(cyclopropylmethylamino)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671879
1-methyl-3-(3-methyl-4-pyridinyl)urea
CID 103881209
2-(cyclopentylamino)-N-(3-methyl-4-pyridinyl)acetamide
CID 63670868
1-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881201
1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63671026
3-(4-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide
CID 63669494
N-(3-methyl-4-pyridinyl)-2-piperidin-4-ylacetamide
CID 119876314
N-(3-methyl-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
CID 104641367
2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 63671201
3-(2-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide
CID 63670710

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methyl-4-pyridinyl)acetamide?
The IUPAC name of 2-chloro-N-(3-methyl-4-pyridinyl)acetamide (CID 63669851) is 2-chloro-N-(3-methyl-4-pyridinyl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-methyl-4-pyridinyl)acetamide?
The canonical SMILES for 2-chloro-N-(3-methyl-4-pyridinyl)acetamide is Cc1cnccc1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(3-methyl-4-pyridinyl)acetamide?
The InChIKey is QUKKDIVGHWYPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-6-5-10-3-2-7(6)11-8(12)4-9/h2-3,5H,4H2,1H3,(H,10,11,12).
What are the key properties of 2-chloro-N-(3-methyl-4-pyridinyl)acetamide?
2-chloro-N-(3-methyl-4-pyridinyl)acetamide has a molecular weight of 184.63 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methyl-4-pyridinyl)acetamide is sourced from PubChem (CID 63669851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).