N-(3-amino-4-methylpentyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide

C22H28N4OS — CID 119660450

IUPACN-(3-amino-4-methylpentyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C22H28N4OS/c1-16(2)20(23)11-13-25(3)22(27)17-7-9-19(10-8-17)28-15-18-14-26-12-5-4-6-21(26)24-18/h4-10,12,14,16,20H,11,13,15,23H2,1-3H3
InChIKeyDUWGGTLGFNKCME-UHFFFAOYSA-N
MW396.56 g/mol
LogP4.07
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide

N-(3-amino-4-methylpentyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide (PubChem CID 119660450) has the molecular formula C22H28N4OS and a molecular weight of 396.56 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
PubChem CID119660450
Molecular FormulaC22H28N4OS
Molecular Weight396.56 g/mol
Exact Mass396.20
IUPAC NameN-(3-amino-4-methylpentyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C22H28N4OS/c1-16(2)20(23)11-13-25(3)22(27)17-7-9-19(10-8-17)28-15-18-14-26-12-5-4-6-21(26)24-18/h4-10,12,14,16,20H,11,13,15,23H2,1-3H3
InChIKeyDUWGGTLGFNKCME-UHFFFAOYSA-N
XLogP4.07
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide (CID 119660450) is N-(3-amino-4-methylpentyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide is CC(C)C(N)CCN(C)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide?
The InChIKey is DUWGGTLGFNKCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4OS/c1-16(2)20(23)11-13-25(3)22(27)17-7-9-19(10-8-17)28-15-18-14-26-12-5-4-6-21(26)24-18/h4-10,12,14,16,20H,11,13,15,23H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide?
N-(3-amino-4-methylpentyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide has a molecular weight of 396.56 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide is sourced from PubChem (CID 119660450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).