6-chloro-N-[2-[4-(dimethylamino)phenoxy]ethyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide

C20H23ClN4O2 — CID 155556239

IUPAC6-chloro-N-[2-[4-(dimethylamino)phenoxy]ethyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCCOc1ccc(N(C)C)cc1
InChIInChI=1S/C20H23ClN4O2/c1-4-17-19(25-13-14(21)5-10-18(25)23-17)20(26)22-11-12-27-16-8-6-15(7-9-16)24(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,22,26)
InChIKeyFXMLOVQDCMXKDU-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.42
Rot. Bonds7

About 6-chloro-N-[2-[4-(dimethylamino)phenoxy]ethyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide

6-chloro-N-[2-[4-(dimethylamino)phenoxy]ethyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155556239) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 6-chloro-N-[2-[4-(dimethylamino)phenoxy]ethyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-[4-(dimethylamino)phenoxy]ethyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155556239
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name6-chloro-N-[2-[4-(dimethylamino)phenoxy]ethyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCCOc1ccc(N(C)C)cc1
InChIInChI=1S/C20H23ClN4O2/c1-4-17-19(25-13-14(21)5-10-18(25)23-17)20(26)22-11-12-27-16-8-6-15(7-9-16)24(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,22,26)
InChIKeyFXMLOVQDCMXKDU-UHFFFAOYSA-N
XLogP3.42
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[4-(dimethylamino)phenoxy]ethyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-[4-(dimethylamino)phenoxy]ethyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide (CID 155556239) is 6-chloro-N-[2-[4-(dimethylamino)phenoxy]ethyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-[4-(dimethylamino)phenoxy]ethyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-[4-(dimethylamino)phenoxy]ethyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(Cl)cn2c1C(=O)NCCOc1ccc(N(C)C)cc1.
What is the InChIKey of 6-chloro-N-[2-[4-(dimethylamino)phenoxy]ethyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is FXMLOVQDCMXKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-4-17-19(25-13-14(21)5-10-18(25)23-17)20(26)22-11-12-27-16-8-6-15(7-9-16)24(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,22,26).
What are the key properties of 6-chloro-N-[2-[4-(dimethylamino)phenoxy]ethyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?
6-chloro-N-[2-[4-(dimethylamino)phenoxy]ethyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[4-(dimethylamino)phenoxy]ethyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155556239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).