[6-chloro-3-(methylamino)-2-pyridinyl]-(4-ethoxyphenyl)methanone

C15H15ClN2O2 — CID 21448713

IUPAC[6-chloro-3-(methylamino)-2-pyridinyl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2nc(Cl)ccc2NC)cc1
InChIInChI=1S/C15H15ClN2O2/c1-3-20-11-6-4-10(5-7-11)15(19)14-12(17-2)8-9-13(16)18-14/h4-9,17H,3H2,1-2H3
InChIKeyKLZUVASZXMFQBP-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.41
Rot. Bonds5

About [6-chloro-3-(methylamino)-2-pyridinyl]-(4-ethoxyphenyl)methanone

[6-chloro-3-(methylamino)-2-pyridinyl]-(4-ethoxyphenyl)methanone (PubChem CID 21448713) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is [6-chloro-3-(methylamino)-2-pyridinyl]-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[6-chloro-3-(methylamino)-2-pyridinyl]-(4-ethoxyphenyl)methanone
PubChem CID21448713
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name[6-chloro-3-(methylamino)-2-pyridinyl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2nc(Cl)ccc2NC)cc1
InChIInChI=1S/C15H15ClN2O2/c1-3-20-11-6-4-10(5-7-11)15(19)14-12(17-2)8-9-13(16)18-14/h4-9,17H,3H2,1-2H3
InChIKeyKLZUVASZXMFQBP-UHFFFAOYSA-N
XLogP3.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzoyl-6-chloro-3-pyridinyl)propanethioamide
CID 21448755
N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide
CID 54787908
(4-ethoxyphenyl)-pyridazin-4-ylmethanone
CID 105093922
(4-ethoxyphenyl)-[3-(hydroxymethyl)quinoxalin-2-yl]methanone
CID 152754878
(4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone
CID 116609755
(4-amino-6-chloropyrimidin-5-yl)-(4-ethoxyphenyl)methanone
CID 164662800
(3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone
CID 64712585
(5-bromo-2-chloro-3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 89283810
(3,6-dichloro-2-pyridinyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 34563260
6-chloro-N-(4-ethoxy-2-methylphenyl)pyridazine-3-carboxamide
CID 61041819
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
CID 3072558
N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide
CID 897315

Frequently Asked Questions

What is the IUPAC name of [6-chloro-3-(methylamino)-2-pyridinyl]-(4-ethoxyphenyl)methanone?
The IUPAC name of [6-chloro-3-(methylamino)-2-pyridinyl]-(4-ethoxyphenyl)methanone (CID 21448713) is [6-chloro-3-(methylamino)-2-pyridinyl]-(4-ethoxyphenyl)methanone.
What is the SMILES notation for [6-chloro-3-(methylamino)-2-pyridinyl]-(4-ethoxyphenyl)methanone?
The canonical SMILES for [6-chloro-3-(methylamino)-2-pyridinyl]-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)c2nc(Cl)ccc2NC)cc1.
What is the InChIKey of [6-chloro-3-(methylamino)-2-pyridinyl]-(4-ethoxyphenyl)methanone?
The InChIKey is KLZUVASZXMFQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-3-20-11-6-4-10(5-7-11)15(19)14-12(17-2)8-9-13(16)18-14/h4-9,17H,3H2,1-2H3.
What are the key properties of [6-chloro-3-(methylamino)-2-pyridinyl]-(4-ethoxyphenyl)methanone?
[6-chloro-3-(methylamino)-2-pyridinyl]-(4-ethoxyphenyl)methanone has a molecular weight of 290.75 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-3-(methylamino)-2-pyridinyl]-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 21448713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).