2-[2-(dipropylamino)-2-oxoethyl]-N-[[(1R)-3,3,4-trimethylcyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide

C26H40N4O2 — CID 143685958

IUPAC2-[2-(dipropylamino)-2-oxoethyl]-N-[[(1R)-3,3,4-trimethylcyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCCCN(CCC)C(=O)Cc1cn2c(C(=O)NC[C@@H]3CCC(C)C(C)(C)C3)cccc2n1
InChIInChI=1S/C26H40N4O2/c1-6-13-29(14-7-2)24(31)15-21-18-30-22(9-8-10-23(30)28-21)25(32)27-17-20-12-11-19(3)26(4,5)16-20/h8-10,18-20H,6-7,11-17H2,1-5H3,(H,27,32)/t19?,20-/m1/s1
InChIKeyWLFPAKDFELCCKA-GFOWMXPYSA-N
MW440.63 g/mol
LogP4.72
Rot. Bonds9

About 2-[2-(dipropylamino)-2-oxoethyl]-N-[[(1R)-3,3,4-trimethylcyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide

2-[2-(dipropylamino)-2-oxoethyl]-N-[[(1R)-3,3,4-trimethylcyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 143685958) has the molecular formula C26H40N4O2 and a molecular weight of 440.63 g/mol. Its IUPAC name is 2-[2-(dipropylamino)-2-oxoethyl]-N-[[(1R)-3,3,4-trimethylcyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(dipropylamino)-2-oxoethyl]-N-[[(1R)-3,3,4-trimethylcyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID143685958
Molecular FormulaC26H40N4O2
Molecular Weight440.63 g/mol
Exact Mass440.32
IUPAC Name2-[2-(dipropylamino)-2-oxoethyl]-N-[[(1R)-3,3,4-trimethylcyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCCCN(CCC)C(=O)Cc1cn2c(C(=O)NC[C@@H]3CCC(C)C(C)(C)C3)cccc2n1
InChIInChI=1S/C26H40N4O2/c1-6-13-29(14-7-2)24(31)15-21-18-30-22(9-8-10-23(30)28-21)25(32)27-17-20-12-11-19(3)26(4,5)16-20/h8-10,18-20H,6-7,11-17H2,1-5H3,(H,27,32)/t19?,20-/m1/s1
InChIKeyWLFPAKDFELCCKA-GFOWMXPYSA-N
XLogP4.72
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.63
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dipropylamino)-2-oxoethyl]-N-[[(1R)-3,3,4-trimethylcyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of 2-[2-(dipropylamino)-2-oxoethyl]-N-[[(1R)-3,3,4-trimethylcyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide (CID 143685958) is 2-[2-(dipropylamino)-2-oxoethyl]-N-[[(1R)-3,3,4-trimethylcyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for 2-[2-(dipropylamino)-2-oxoethyl]-N-[[(1R)-3,3,4-trimethylcyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for 2-[2-(dipropylamino)-2-oxoethyl]-N-[[(1R)-3,3,4-trimethylcyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide is CCCN(CCC)C(=O)Cc1cn2c(C(=O)NC[C@@H]3CCC(C)C(C)(C)C3)cccc2n1.
What is the InChIKey of 2-[2-(dipropylamino)-2-oxoethyl]-N-[[(1R)-3,3,4-trimethylcyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is WLFPAKDFELCCKA-GFOWMXPYSA-N. The full InChI is InChI=1S/C26H40N4O2/c1-6-13-29(14-7-2)24(31)15-21-18-30-22(9-8-10-23(30)28-21)25(32)27-17-20-12-11-19(3)26(4,5)16-20/h8-10,18-20H,6-7,11-17H2,1-5H3,(H,27,32)/t19?,20-/m1/s1.
What are the key properties of 2-[2-(dipropylamino)-2-oxoethyl]-N-[[(1R)-3,3,4-trimethylcyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide?
2-[2-(dipropylamino)-2-oxoethyl]-N-[[(1R)-3,3,4-trimethylcyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 440.63 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dipropylamino)-2-oxoethyl]-N-[[(1R)-3,3,4-trimethylcyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 143685958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).