[6-[[4-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone

C16H16F3N5O2 — CID 141220618

IUPAC[6-[[4-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESNc1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)ncc1C(F)(F)F
InChIInChI=1S/C16H16F3N5O2/c17-16(18,19)11-9-22-14(7-12(11)20)23-13-2-1-10(8-21-13)15(25)24-3-5-26-6-4-24/h1-2,7-9H,3-6H2,(H3,20,21,22,23)
InChIKeyLHMLLVVAUKQHHD-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.29
Rot. Bonds3

About [6-[[4-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone

[6-[[4-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 141220618) has the molecular formula C16H16F3N5O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is [6-[[4-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[[4-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID141220618
Molecular FormulaC16H16F3N5O2
Molecular Weight367.33 g/mol
Exact Mass367.13
IUPAC Name[6-[[4-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESNc1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)ncc1C(F)(F)F
InChIInChI=1S/C16H16F3N5O2/c17-16(18,19)11-9-22-14(7-12(11)20)23-13-2-1-10(8-21-13)15(25)24-3-5-26-6-4-24/h1-2,7-9H,3-6H2,(H3,20,21,22,23)
InChIKeyLHMLLVVAUKQHHD-UHFFFAOYSA-N
XLogP2.29
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[[4-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[[4-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 141220618) is [6-[[4-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[[4-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[[4-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone is Nc1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)ncc1C(F)(F)F.
What is the InChIKey of [6-[[4-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is LHMLLVVAUKQHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2/c17-16(18,19)11-9-22-14(7-12(11)20)23-13-2-1-10(8-21-13)15(25)24-3-5-26-6-4-24/h1-2,7-9H,3-6H2,(H3,20,21,22,23).
What are the key properties of [6-[[4-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
[6-[[4-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 367.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[4-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 141220618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).