6-(2-methylpyrrolidin-1-yl)-4-(1-propylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

C24H32F3N5 — CID 134293667

IUPAC6-(2-methylpyrrolidin-1-yl)-4-(1-propylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESCCCN1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CCCC3C)c2)CC1
InChIInChI=1S/C24H32F3N5/c1-3-10-31-12-7-18(8-13-31)19-14-22(30-23(15-19)32-11-4-5-17(32)2)29-21-16-20(6-9-28-21)24(25,26)27/h6,9,14-18H,3-5,7-8,10-13H2,1-2H3,(H,28,29,30)
InChIKeyAMLLWDNZULROIX-UHFFFAOYSA-N
MW447.55 g/mol
LogP5.82
Rot. Bonds6

About 6-(2-methylpyrrolidin-1-yl)-4-(1-propylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

6-(2-methylpyrrolidin-1-yl)-4-(1-propylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 134293667) has the molecular formula C24H32F3N5 and a molecular weight of 447.55 g/mol. Its IUPAC name is 6-(2-methylpyrrolidin-1-yl)-4-(1-propylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(2-methylpyrrolidin-1-yl)-4-(1-propylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID134293667
Molecular FormulaC24H32F3N5
Molecular Weight447.55 g/mol
Exact Mass447.26
IUPAC Name6-(2-methylpyrrolidin-1-yl)-4-(1-propylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESCCCN1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CCCC3C)c2)CC1
InChIInChI=1S/C24H32F3N5/c1-3-10-31-12-7-18(8-13-31)19-14-22(30-23(15-19)32-11-4-5-17(32)2)29-21-16-20(6-9-28-21)24(25,26)27/h6,9,14-18H,3-5,7-8,10-13H2,1-2H3,(H,28,29,30)
InChIKeyAMLLWDNZULROIX-UHFFFAOYSA-N
XLogP5.82
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.55
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpyrrolidin-1-yl)-4-(1-propylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 6-(2-methylpyrrolidin-1-yl)-4-(1-propylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (CID 134293667) is 6-(2-methylpyrrolidin-1-yl)-4-(1-propylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 6-(2-methylpyrrolidin-1-yl)-4-(1-propylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 6-(2-methylpyrrolidin-1-yl)-4-(1-propylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is CCCN1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CCCC3C)c2)CC1.
What is the InChIKey of 6-(2-methylpyrrolidin-1-yl)-4-(1-propylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is AMLLWDNZULROIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N5/c1-3-10-31-12-7-18(8-13-31)19-14-22(30-23(15-19)32-11-4-5-17(32)2)29-21-16-20(6-9-28-21)24(25,26)27/h6,9,14-18H,3-5,7-8,10-13H2,1-2H3,(H,28,29,30).
What are the key properties of 6-(2-methylpyrrolidin-1-yl)-4-(1-propylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
6-(2-methylpyrrolidin-1-yl)-4-(1-propylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 447.55 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpyrrolidin-1-yl)-4-(1-propylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 134293667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).