3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide

C26H37N5O2 — CID 46943531

IUPAC3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3cccc(OC)c3)cn2c1N(CCC(C)C)CCN(C)C
InChIInChI=1S/C26H37N5O2/c1-7-23-26(30(14-13-19(2)3)16-15-29(4)5)31-18-20(11-12-24(31)28-23)25(32)27-21-9-8-10-22(17-21)33-6/h8-12,17-19H,7,13-16H2,1-6H3,(H,27,32)
InChIKeyFDELUNISSIVWCH-UHFFFAOYSA-N
MW451.62 g/mol
LogP4.57
Rot. Bonds11

About 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide

3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46943531) has the molecular formula C26H37N5O2 and a molecular weight of 451.62 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46943531
Molecular FormulaC26H37N5O2
Molecular Weight451.62 g/mol
Exact Mass451.29
IUPAC Name3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3cccc(OC)c3)cn2c1N(CCC(C)C)CCN(C)C
InChIInChI=1S/C26H37N5O2/c1-7-23-26(30(14-13-19(2)3)16-15-29(4)5)31-18-20(11-12-24(31)28-23)25(32)27-21-9-8-10-22(17-21)33-6/h8-12,17-19H,7,13-16H2,1-6H3,(H,27,32)
InChIKeyFDELUNISSIVWCH-UHFFFAOYSA-N
XLogP4.57
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.62
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 10253089
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CID 25138154
CID 69000930
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CID 134214787
CID 134214787
CID 16009052
CID 16009052
CID 154593283
CID 154593283
CID 9866765
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CID 25138153
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CID 25138157
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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 46943531) is 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide is CCc1nc2ccc(C(=O)Nc3cccc(OC)c3)cn2c1N(CCC(C)C)CCN(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is FDELUNISSIVWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O2/c1-7-23-26(30(14-13-19(2)3)16-15-29(4)5)31-18-20(11-12-24(31)28-23)25(32)27-21-9-8-10-22(17-21)33-6/h8-12,17-19H,7,13-16H2,1-6H3,(H,27,32).
What are the key properties of 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide?
3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 451.62 g/mol, XLogP of 4.57, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46943531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).