N-[2-(tert-butylamino)-2-oxoethyl]-3-cyclohexyl-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

C22H36N4O2 — CID 75472686

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-3-cyclohexyl-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)C1CCn2c(cnc2C2CCCCC2)C1
InChIInChI=1S/C22H36N4O2/c1-5-25(15-19(27)24-22(2,3)4)21(28)17-11-12-26-18(13-17)14-23-20(26)16-9-7-6-8-10-16/h14,16-17H,5-13,15H2,1-4H3,(H,24,27)
InChIKeySHYHDBYDJUBCQC-UHFFFAOYSA-N
MW388.56 g/mol
LogP3.26
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-3-cyclohexyl-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-3-cyclohexyl-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 75472686) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-3-cyclohexyl-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-3-cyclohexyl-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
PubChem CID75472686
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-3-cyclohexyl-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)C1CCn2c(cnc2C2CCCCC2)C1
InChIInChI=1S/C22H36N4O2/c1-5-25(15-19(27)24-22(2,3)4)21(28)17-11-12-26-18(13-17)14-23-20(26)16-9-7-6-8-10-16/h14,16-17H,5-13,15H2,1-4H3,(H,24,27)
InChIKeySHYHDBYDJUBCQC-UHFFFAOYSA-N
XLogP3.26
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-cyclohexyl-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-cyclohexyl-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (CID 75472686) is N-[2-(tert-butylamino)-2-oxoethyl]-3-cyclohexyl-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-3-cyclohexyl-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-3-cyclohexyl-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is CCN(CC(=O)NC(C)(C)C)C(=O)C1CCn2c(cnc2C2CCCCC2)C1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-3-cyclohexyl-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is SHYHDBYDJUBCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-5-25(15-19(27)24-22(2,3)4)21(28)17-11-12-26-18(13-17)14-23-20(26)16-9-7-6-8-10-16/h14,16-17H,5-13,15H2,1-4H3,(H,24,27).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-3-cyclohexyl-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-3-cyclohexyl-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 388.56 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-3-cyclohexyl-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 75472686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).