3-chloro-N-(6-morpholin-2-yl-3-pyridinyl)benzamide

C16H16ClN3O2 — CID 118484413

IUPAC3-chloro-N-(6-morpholin-2-yl-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(C2CNCCO2)nc1)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClN3O2/c17-12-3-1-2-11(8-12)16(21)20-13-4-5-14(19-9-13)15-10-18-6-7-22-15/h1-5,8-9,15,18H,6-7,10H2,(H,20,21)
InChIKeyDVNZVLGUPRQLGY-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.65
Rot. Bonds3

About 3-chloro-N-(6-morpholin-2-yl-3-pyridinyl)benzamide

3-chloro-N-(6-morpholin-2-yl-3-pyridinyl)benzamide (PubChem CID 118484413) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 3-chloro-N-(6-morpholin-2-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(6-morpholin-2-yl-3-pyridinyl)benzamide
PubChem CID118484413
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name3-chloro-N-(6-morpholin-2-yl-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(C2CNCCO2)nc1)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClN3O2/c17-12-3-1-2-11(8-12)16(21)20-13-4-5-14(19-9-13)15-10-18-6-7-22-15/h1-5,8-9,15,18H,6-7,10H2,(H,20,21)
InChIKeyDVNZVLGUPRQLGY-UHFFFAOYSA-N
XLogP2.65
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-morpholin-2-yl-3-pyridinyl)benzamide?
The IUPAC name of 3-chloro-N-(6-morpholin-2-yl-3-pyridinyl)benzamide (CID 118484413) is 3-chloro-N-(6-morpholin-2-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-chloro-N-(6-morpholin-2-yl-3-pyridinyl)benzamide?
The canonical SMILES for 3-chloro-N-(6-morpholin-2-yl-3-pyridinyl)benzamide is O=C(Nc1ccc(C2CNCCO2)nc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(6-morpholin-2-yl-3-pyridinyl)benzamide?
The InChIKey is DVNZVLGUPRQLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c17-12-3-1-2-11(8-12)16(21)20-13-4-5-14(19-9-13)15-10-18-6-7-22-15/h1-5,8-9,15,18H,6-7,10H2,(H,20,21).
What are the key properties of 3-chloro-N-(6-morpholin-2-yl-3-pyridinyl)benzamide?
3-chloro-N-(6-morpholin-2-yl-3-pyridinyl)benzamide has a molecular weight of 317.78 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(6-morpholin-2-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 118484413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).