4-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

C21H20F3N5O — CID 119098921

IUPAC4-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(N3CCOCC3)nc2)c1
InChIInChI=1S/C21H20F3N5O/c1-14-10-17(15-2-3-20(26-13-15)29-6-8-30-9-7-29)27-19(11-14)28-18-12-16(4-5-25-18)21(22,23)24/h2-5,10-13H,6-9H2,1H3,(H,25,27,28)
InChIKeyFMHWCUPBWVWNQH-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.45
Rot. Bonds4

About 4-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

4-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 119098921) has the molecular formula C21H20F3N5O and a molecular weight of 415.42 g/mol. Its IUPAC name is 4-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID119098921
Molecular FormulaC21H20F3N5O
Molecular Weight415.42 g/mol
Exact Mass415.16
IUPAC Name4-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(N3CCOCC3)nc2)c1
InChIInChI=1S/C21H20F3N5O/c1-14-10-17(15-2-3-20(26-13-15)29-6-8-30-9-7-29)27-19(11-14)28-18-12-16(4-5-25-18)21(22,23)24/h2-5,10-13H,6-9H2,1H3,(H,25,27,28)
InChIKeyFMHWCUPBWVWNQH-UHFFFAOYSA-N
XLogP4.45
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 4-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (CID 119098921) is 4-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(N3CCOCC3)nc2)c1.
What is the InChIKey of 4-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is FMHWCUPBWVWNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O/c1-14-10-17(15-2-3-20(26-13-15)29-6-8-30-9-7-29)27-19(11-14)28-18-12-16(4-5-25-18)21(22,23)24/h2-5,10-13H,6-9H2,1H3,(H,25,27,28).
What are the key properties of 4-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
4-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 415.42 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 119098921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).