N-[(2R)-1-hydroxyhexan-2-yl]-2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide

C21H33N3O3 — CID 74222630

IUPACN-[(2R)-1-hydroxyhexan-2-yl]-2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCC[C@H](CO)NC(=O)c1c(C)nc2c(OCCC(C)C)cc(C)cn12
InChIInChI=1S/C21H33N3O3/c1-6-7-8-17(13-25)23-21(26)19-16(5)22-20-18(27-10-9-14(2)3)11-15(4)12-24(19)20/h11-12,14,17,25H,6-10,13H2,1-5H3,(H,23,26)/t17-/m1/s1
InChIKeyCORLFHLRVVXWIF-QGZVFWFLSA-N
MW375.51 g/mol
LogP3.66
Rot. Bonds10

About N-[(2R)-1-hydroxyhexan-2-yl]-2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide

N-[(2R)-1-hydroxyhexan-2-yl]-2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 74222630) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[(2R)-1-hydroxyhexan-2-yl]-2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxyhexan-2-yl]-2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID74222630
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-[(2R)-1-hydroxyhexan-2-yl]-2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCC[C@H](CO)NC(=O)c1c(C)nc2c(OCCC(C)C)cc(C)cn12
InChIInChI=1S/C21H33N3O3/c1-6-7-8-17(13-25)23-21(26)19-16(5)22-20-18(27-10-9-14(2)3)11-15(4)12-24(19)20/h11-12,14,17,25H,6-10,13H2,1-5H3,(H,23,26)/t17-/m1/s1
InChIKeyCORLFHLRVVXWIF-QGZVFWFLSA-N
XLogP3.66
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxyhexan-2-yl]-2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxyhexan-2-yl]-2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide (CID 74222630) is N-[(2R)-1-hydroxyhexan-2-yl]-2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxyhexan-2-yl]-2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxyhexan-2-yl]-2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide is CCCC[C@H](CO)NC(=O)c1c(C)nc2c(OCCC(C)C)cc(C)cn12.
What is the InChIKey of N-[(2R)-1-hydroxyhexan-2-yl]-2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CORLFHLRVVXWIF-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-6-7-8-17(13-25)23-21(26)19-16(5)22-20-18(27-10-9-14(2)3)11-15(4)12-24(19)20/h11-12,14,17,25H,6-10,13H2,1-5H3,(H,23,26)/t17-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxyhexan-2-yl]-2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide?
N-[(2R)-1-hydroxyhexan-2-yl]-2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 3.66, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxyhexan-2-yl]-2,6-dimethyl-8-(3-methylbutoxy)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 74222630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).