N-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

C21H26N4O2 — CID 95553938

IUPACN-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESC[C@H](O)CN(C)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn12
InChIInChI=1S/C21H26N4O2/c1-16(26)13-23(2)15-18-20(22-19-11-7-8-12-25(18)19)21(27)24(3)14-17-9-5-4-6-10-17/h4-12,16,26H,13-15H2,1-3H3/t16-/m0/s1
InChIKeyRZSGSMAJCUHVOG-INIZCTEOSA-N
MW366.47 g/mol
LogP2.42
Rot. Bonds7

About N-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

N-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 95553938) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID95553938
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESC[C@H](O)CN(C)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn12
InChIInChI=1S/C21H26N4O2/c1-16(26)13-23(2)15-18-20(22-19-11-7-8-12-25(18)19)21(27)24(3)14-17-9-5-4-6-10-17/h4-12,16,26H,13-15H2,1-3H3/t16-/m0/s1
InChIKeyRZSGSMAJCUHVOG-INIZCTEOSA-N
XLogP2.42
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 95553938) is N-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide is C[C@H](O)CN(C)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn12.
What is the InChIKey of N-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is RZSGSMAJCUHVOG-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-16(26)13-23(2)15-18-20(22-19-11-7-8-12-25(18)19)21(27)24(3)14-17-9-5-4-6-10-17/h4-12,16,26H,13-15H2,1-3H3/t16-/m0/s1.
What are the key properties of N-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 95553938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).