[2-acetamido-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid

C17H17N5O5 — CID 174188070

IUPAC[2-acetamido-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid
SMILESCC(=O)Nc1cc(NC(=O)O)c(-c2ccc(N3CCOCC3=O)cn2)cn1
InChIInChI=1S/C17H17N5O5/c1-10(23)20-15-6-14(21-17(25)26)12(8-19-15)13-3-2-11(7-18-13)22-4-5-27-9-16(22)24/h2-3,6-8H,4-5,9H2,1H3,(H,25,26)(H2,19,20,21,23)
InChIKeyCPPFRMYFEVCTIC-UHFFFAOYSA-N
MW371.35 g/mol
LogP1.56
Rot. Bonds4

About [2-acetamido-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid

[2-acetamido-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid (PubChem CID 174188070) has the molecular formula C17H17N5O5 and a molecular weight of 371.35 g/mol. Its IUPAC name is [2-acetamido-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[2-acetamido-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid
PubChem CID174188070
Molecular FormulaC17H17N5O5
Molecular Weight371.35 g/mol
Exact Mass371.12
IUPAC Name[2-acetamido-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid
SMILESCC(=O)Nc1cc(NC(=O)O)c(-c2ccc(N3CCOCC3=O)cn2)cn1
InChIInChI=1S/C17H17N5O5/c1-10(23)20-15-6-14(21-17(25)26)12(8-19-15)13-3-2-11(7-18-13)22-4-5-27-9-16(22)24/h2-3,6-8H,4-5,9H2,1H3,(H,25,26)(H2,19,20,21,23)
InChIKeyCPPFRMYFEVCTIC-UHFFFAOYSA-N
XLogP1.56
TPSA133.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-acetamido-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid?
The IUPAC name of [2-acetamido-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid (CID 174188070) is [2-acetamido-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid.
What is the SMILES notation for [2-acetamido-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid?
The canonical SMILES for [2-acetamido-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid is CC(=O)Nc1cc(NC(=O)O)c(-c2ccc(N3CCOCC3=O)cn2)cn1.
What is the InChIKey of [2-acetamido-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid?
The InChIKey is CPPFRMYFEVCTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O5/c1-10(23)20-15-6-14(21-17(25)26)12(8-19-15)13-3-2-11(7-18-13)22-4-5-27-9-16(22)24/h2-3,6-8H,4-5,9H2,1H3,(H,25,26)(H2,19,20,21,23).
What are the key properties of [2-acetamido-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid?
[2-acetamido-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid has a molecular weight of 371.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetamido-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid is sourced from PubChem (CID 174188070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).