[6-(3-methylanilino)-3-pyridinyl]-morpholin-4-ylmethanone

C17H19N3O2 — CID 1441212

IUPAC[6-(3-methylanilino)-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1cccc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1
InChIInChI=1S/C17H19N3O2/c1-13-3-2-4-15(11-13)19-16-6-5-14(12-18-16)17(21)20-7-9-22-10-8-20/h2-6,11-12H,7-10H2,1H3,(H,18,19)
InChIKeyAMHDMNUWSHUTLS-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.61
Rot. Bonds3

About [6-(3-methylanilino)-3-pyridinyl]-morpholin-4-ylmethanone

[6-(3-methylanilino)-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 1441212) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is [6-(3-methylanilino)-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(3-methylanilino)-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID1441212
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name[6-(3-methylanilino)-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1cccc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1
InChIInChI=1S/C17H19N3O2/c1-13-3-2-4-15(11-13)19-16-6-5-14(12-18-16)17(21)20-7-9-22-10-8-20/h2-6,11-12H,7-10H2,1H3,(H,18,19)
InChIKeyAMHDMNUWSHUTLS-UHFFFAOYSA-N
XLogP2.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(3-methylanilino)-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(3-methylanilino)-3-pyridinyl]-morpholin-4-ylmethanone (CID 1441212) is [6-(3-methylanilino)-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(3-methylanilino)-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(3-methylanilino)-3-pyridinyl]-morpholin-4-ylmethanone is Cc1cccc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1.
What is the InChIKey of [6-(3-methylanilino)-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is AMHDMNUWSHUTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-3-2-4-15(11-13)19-16-6-5-14(12-18-16)17(21)20-7-9-22-10-8-20/h2-6,11-12H,7-10H2,1H3,(H,18,19).
What are the key properties of [6-(3-methylanilino)-3-pyridinyl]-morpholin-4-ylmethanone?
[6-(3-methylanilino)-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 297.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methylanilino)-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1441212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).