N-[2-(3-hydroxy-3-methylbutyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide

C20H24N4O3 — CID 155166969

IUPACN-[2-(3-hydroxy-3-methylbutyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc2nc(CCC(C)(C)O)cn2cc1NC(=O)c1cccc(C)n1
InChIInChI=1S/C20H24N4O3/c1-13-6-5-7-15(21-13)19(25)23-16-12-24-11-14(8-9-20(2,3)26)22-18(24)10-17(16)27-4/h5-7,10-12,26H,8-9H2,1-4H3,(H,23,25)
InChIKeyUMMFMTVMMXBVIM-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.00
Rot. Bonds6

About N-[2-(3-hydroxy-3-methylbutyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide

N-[2-(3-hydroxy-3-methylbutyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide (PubChem CID 155166969) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[2-(3-hydroxy-3-methylbutyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxy-3-methylbutyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide
PubChem CID155166969
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[2-(3-hydroxy-3-methylbutyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc2nc(CCC(C)(C)O)cn2cc1NC(=O)c1cccc(C)n1
InChIInChI=1S/C20H24N4O3/c1-13-6-5-7-15(21-13)19(25)23-16-12-24-11-14(8-9-20(2,3)26)22-18(24)10-17(16)27-4/h5-7,10-12,26H,8-9H2,1-4H3,(H,23,25)
InChIKeyUMMFMTVMMXBVIM-UHFFFAOYSA-N
XLogP3.00
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxy-3-methylbutyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-(3-hydroxy-3-methylbutyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide (CID 155166969) is N-[2-(3-hydroxy-3-methylbutyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxy-3-methylbutyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-hydroxy-3-methylbutyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide is COc1cc2nc(CCC(C)(C)O)cn2cc1NC(=O)c1cccc(C)n1.
What is the InChIKey of N-[2-(3-hydroxy-3-methylbutyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is UMMFMTVMMXBVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13-6-5-7-15(21-13)19(25)23-16-12-24-11-14(8-9-20(2,3)26)22-18(24)10-17(16)27-4/h5-7,10-12,26H,8-9H2,1-4H3,(H,23,25).
What are the key properties of N-[2-(3-hydroxy-3-methylbutyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide?
N-[2-(3-hydroxy-3-methylbutyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxy-3-methylbutyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 155166969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).