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

C27H39N5O2 — CID 46942619

IUPAC3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCc3ccccc3OC)cn2c1N(CCC(C)C)CCN(C)C
InChIInChI=1S/C27H39N5O2/c1-7-23-27(31(15-14-20(2)3)17-16-30(4)5)32-19-22(12-13-25(32)29-23)26(33)28-18-21-10-8-9-11-24(21)34-6/h8-13,19-20H,7,14-18H2,1-6H3,(H,28,33)
InChIKeyOGGYROCWLUFYBU-UHFFFAOYSA-N
MW465.64 g/mol
LogP4.25
Rot. Bonds12

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

3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46942619) has the molecular formula C27H39N5O2 and a molecular weight of 465.64 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46942619
Molecular FormulaC27H39N5O2
Molecular Weight465.64 g/mol
Exact Mass465.31
IUPAC Name3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCc3ccccc3OC)cn2c1N(CCC(C)C)CCN(C)C
InChIInChI=1S/C27H39N5O2/c1-7-23-27(31(15-14-20(2)3)17-16-30(4)5)32-19-22(12-13-25(32)29-23)26(33)28-18-21-10-8-9-11-24(21)34-6/h8-13,19-20H,7,14-18H2,1-6H3,(H,28,33)
InChIKeyOGGYROCWLUFYBU-UHFFFAOYSA-N
XLogP4.25
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 46942619) is 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide is CCc1nc2ccc(C(=O)NCc3ccccc3OC)cn2c1N(CCC(C)C)CCN(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is OGGYROCWLUFYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O2/c1-7-23-27(31(15-14-20(2)3)17-16-30(4)5)32-19-22(12-13-25(32)29-23)26(33)28-18-21-10-8-9-11-24(21)34-6/h8-13,19-20H,7,14-18H2,1-6H3,(H,28,33).
What are the key properties of 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 465.64 g/mol, XLogP of 4.25, 12 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-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46942619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).