[5-chlorooxy-4-[[4-(cyclopropylmethoxy)-5-methoxypyridine-2-carbonyl]amino]-3-pyridinyl] hypochlorite

C16H15Cl2N3O5 — CID 67235250

IUPAC[5-chlorooxy-4-[[4-(cyclopropylmethoxy)-5-methoxypyridine-2-carbonyl]amino]-3-pyridinyl] hypochlorite
SMILESCOc1cnc(C(=O)Nc2c(OCl)cncc2OCl)cc1OCC1CC1
InChIInChI=1S/C16H15Cl2N3O5/c1-23-12-7-20-10(4-11(12)24-8-9-2-3-9)16(22)21-15-13(25-17)5-19-6-14(15)26-18/h4-7,9H,2-3,8H2,1H3,(H,19,21,22)
InChIKeyWXEWSRZWXFDECR-UHFFFAOYSA-N
MW400.22 g/mol
LogP3.59
Rot. Bonds8

About [5-chlorooxy-4-[[4-(cyclopropylmethoxy)-5-methoxypyridine-2-carbonyl]amino]-3-pyridinyl] hypochlorite

[5-chlorooxy-4-[[4-(cyclopropylmethoxy)-5-methoxypyridine-2-carbonyl]amino]-3-pyridinyl] hypochlorite (PubChem CID 67235250) has the molecular formula C16H15Cl2N3O5 and a molecular weight of 400.22 g/mol. Its IUPAC name is [5-chlorooxy-4-[[4-(cyclopropylmethoxy)-5-methoxypyridine-2-carbonyl]amino]-3-pyridinyl] hypochlorite.

Molecular Properties

Compound Name[5-chlorooxy-4-[[4-(cyclopropylmethoxy)-5-methoxypyridine-2-carbonyl]amino]-3-pyridinyl] hypochlorite
PubChem CID67235250
Molecular FormulaC16H15Cl2N3O5
Molecular Weight400.22 g/mol
Exact Mass399.04
IUPAC Name[5-chlorooxy-4-[[4-(cyclopropylmethoxy)-5-methoxypyridine-2-carbonyl]amino]-3-pyridinyl] hypochlorite
SMILESCOc1cnc(C(=O)Nc2c(OCl)cncc2OCl)cc1OCC1CC1
InChIInChI=1S/C16H15Cl2N3O5/c1-23-12-7-20-10(4-11(12)24-8-9-2-3-9)16(22)21-15-13(25-17)5-19-6-14(15)26-18/h4-7,9H,2-3,8H2,1H3,(H,19,21,22)
InChIKeyWXEWSRZWXFDECR-UHFFFAOYSA-N
XLogP3.59
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.22
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-chlorooxy-4-[[4-(cyclopropylmethoxy)-5-methoxypyridine-2-carbonyl]amino]-3-pyridinyl] hypochlorite?
The IUPAC name of [5-chlorooxy-4-[[4-(cyclopropylmethoxy)-5-methoxypyridine-2-carbonyl]amino]-3-pyridinyl] hypochlorite (CID 67235250) is [5-chlorooxy-4-[[4-(cyclopropylmethoxy)-5-methoxypyridine-2-carbonyl]amino]-3-pyridinyl] hypochlorite.
What is the SMILES notation for [5-chlorooxy-4-[[4-(cyclopropylmethoxy)-5-methoxypyridine-2-carbonyl]amino]-3-pyridinyl] hypochlorite?
The canonical SMILES for [5-chlorooxy-4-[[4-(cyclopropylmethoxy)-5-methoxypyridine-2-carbonyl]amino]-3-pyridinyl] hypochlorite is COc1cnc(C(=O)Nc2c(OCl)cncc2OCl)cc1OCC1CC1.
What is the InChIKey of [5-chlorooxy-4-[[4-(cyclopropylmethoxy)-5-methoxypyridine-2-carbonyl]amino]-3-pyridinyl] hypochlorite?
The InChIKey is WXEWSRZWXFDECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O5/c1-23-12-7-20-10(4-11(12)24-8-9-2-3-9)16(22)21-15-13(25-17)5-19-6-14(15)26-18/h4-7,9H,2-3,8H2,1H3,(H,19,21,22).
What are the key properties of [5-chlorooxy-4-[[4-(cyclopropylmethoxy)-5-methoxypyridine-2-carbonyl]amino]-3-pyridinyl] hypochlorite?
[5-chlorooxy-4-[[4-(cyclopropylmethoxy)-5-methoxypyridine-2-carbonyl]amino]-3-pyridinyl] hypochlorite has a molecular weight of 400.22 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chlorooxy-4-[[4-(cyclopropylmethoxy)-5-methoxypyridine-2-carbonyl]amino]-3-pyridinyl] hypochlorite is sourced from PubChem (CID 67235250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).