N-(4-chloro-2-pyridinyl)-3-ethoxypropanamide

C10H13ClN2O2 — CID 115626770

IUPACN-(4-chloro-2-pyridinyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C10H13ClN2O2/c1-2-15-6-4-10(14)13-9-7-8(11)3-5-12-9/h3,5,7H,2,4,6H2,1H3,(H,12,13,14)
InChIKeyWURLCJUSCYIRID-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.10
Rot. Bonds5

About N-(4-chloro-2-pyridinyl)-3-ethoxypropanamide

N-(4-chloro-2-pyridinyl)-3-ethoxypropanamide (PubChem CID 115626770) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-3-ethoxypropanamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-3-ethoxypropanamide
PubChem CID115626770
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC NameN-(4-chloro-2-pyridinyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C10H13ClN2O2/c1-2-15-6-4-10(14)13-9-7-8(11)3-5-12-9/h3,5,7H,2,4,6H2,1H3,(H,12,13,14)
InChIKeyWURLCJUSCYIRID-UHFFFAOYSA-N
XLogP2.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-pyridinyl)-4-methoxypent-4-enamide
CID 123816507
N-(4-chloro-2-pyridinyl)-3-(dimethylamino)propanamide
CID 130770747
N-(4-chloro-2-pyridinyl)-2-hydroxyacetamide
CID 83768276
N-(4-chlorophenyl)-3-ethoxypropanamide
CID 2972757
N-(4-chloro-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115968525
N-(4-chloro-2-pyridinyl)-3-methylpentanamide
CID 114877777
N-(4-chloro-2-pyridinyl)-4-ethoxybenzamide
CID 115626710
N-(4-chloro-2-pyridinyl)-2-methylbutanamide
CID 115626778
N-(4-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 115626697
N-(4,5-dichloro-2-pyridinyl)-4-ethoxybutanamide
CID 71987137
tert-butyl N-(4-chloro-2-pyridinyl)carbamate;ethyl formate
CID 161046296
N-(4-chloro-2-pyridinyl)-2-ethoxybenzamide
CID 113236114

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-3-ethoxypropanamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-3-ethoxypropanamide (CID 115626770) is N-(4-chloro-2-pyridinyl)-3-ethoxypropanamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-3-ethoxypropanamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-3-ethoxypropanamide is CCOCCC(=O)Nc1cc(Cl)ccn1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-3-ethoxypropanamide?
The InChIKey is WURLCJUSCYIRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-2-15-6-4-10(14)13-9-7-8(11)3-5-12-9/h3,5,7H,2,4,6H2,1H3,(H,12,13,14).
What are the key properties of N-(4-chloro-2-pyridinyl)-3-ethoxypropanamide?
N-(4-chloro-2-pyridinyl)-3-ethoxypropanamide has a molecular weight of 228.68 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-3-ethoxypropanamide is sourced from PubChem (CID 115626770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).