N-[6-[5-[[hydroxy-(hydroxymethyl)-methyl-λ4-sulfanyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide

C16H19N5O3S — CID 68755323

IUPACN-[6-[5-[[hydroxy-(hydroxymethyl)-methyl-λ4-sulfanyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1cn2cc(-c3cncc(NS(C)(O)CO)c3)ccc2n1
InChIInChI=1S/C16H19N5O3S/c1-11(23)18-15-9-21-8-12(3-4-16(21)19-15)13-5-14(7-17-6-13)20-25(2,24)10-22/h3-9,20,22,24H,10H2,1-2H3,(H,18,23)
InChIKeyBBGSHBSXADKMSO-UHFFFAOYSA-N
MW361.43 g/mol
LogP2.54
Rot. Bonds5

About N-[6-[5-[[hydroxy-(hydroxymethyl)-methyl-λ4-sulfanyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide

N-[6-[5-[[hydroxy-(hydroxymethyl)-methyl-λ4-sulfanyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide (PubChem CID 68755323) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[6-[5-[[hydroxy-(hydroxymethyl)-methyl-λ4-sulfanyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[5-[[hydroxy-(hydroxymethyl)-methyl-λ4-sulfanyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide
PubChem CID68755323
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC NameN-[6-[5-[[hydroxy-(hydroxymethyl)-methyl-λ4-sulfanyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1cn2cc(-c3cncc(NS(C)(O)CO)c3)ccc2n1
InChIInChI=1S/C16H19N5O3S/c1-11(23)18-15-9-21-8-12(3-4-16(21)19-15)13-5-14(7-17-6-13)20-25(2,24)10-22/h3-9,20,22,24H,10H2,1-2H3,(H,18,23)
InChIKeyBBGSHBSXADKMSO-UHFFFAOYSA-N
XLogP2.54
TPSA111.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-[[hydroxy-(hydroxymethyl)-methyl-λ4-sulfanyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide?
The IUPAC name of N-[6-[5-[[hydroxy-(hydroxymethyl)-methyl-λ4-sulfanyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide (CID 68755323) is N-[6-[5-[[hydroxy-(hydroxymethyl)-methyl-λ4-sulfanyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[6-[5-[[hydroxy-(hydroxymethyl)-methyl-λ4-sulfanyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide?
The canonical SMILES for N-[6-[5-[[hydroxy-(hydroxymethyl)-methyl-λ4-sulfanyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide is CC(=O)Nc1cn2cc(-c3cncc(NS(C)(O)CO)c3)ccc2n1.
What is the InChIKey of N-[6-[5-[[hydroxy-(hydroxymethyl)-methyl-λ4-sulfanyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide?
The InChIKey is BBGSHBSXADKMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-11(23)18-15-9-21-8-12(3-4-16(21)19-15)13-5-14(7-17-6-13)20-25(2,24)10-22/h3-9,20,22,24H,10H2,1-2H3,(H,18,23).
What are the key properties of N-[6-[5-[[hydroxy-(hydroxymethyl)-methyl-λ4-sulfanyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide?
N-[6-[5-[[hydroxy-(hydroxymethyl)-methyl-λ4-sulfanyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide has a molecular weight of 361.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-[[hydroxy-(hydroxymethyl)-methyl-λ4-sulfanyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 68755323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).