6-(2-methylpyrrolidin-1-yl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

C23H28F3N5 — CID 134293765

IUPAC6-(2-methylpyrrolidin-1-yl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESC=C(C)N1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CCCC3C)c2)C1
InChIInChI=1S/C23H28F3N5/c1-15(2)30-10-7-17(14-30)18-11-21(29-22(12-18)31-9-4-5-16(31)3)28-20-13-19(6-8-27-20)23(24,25)26/h6,8,11-13,16-17H,1,4-5,7,9-10,14H2,2-3H3,(H,27,28,29)
InChIKeyKRZNVRIZIXRMGA-UHFFFAOYSA-N
MW431.51 g/mol
LogP5.55
Rot. Bonds5

About 6-(2-methylpyrrolidin-1-yl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

6-(2-methylpyrrolidin-1-yl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 134293765) has the molecular formula C23H28F3N5 and a molecular weight of 431.51 g/mol. Its IUPAC name is 6-(2-methylpyrrolidin-1-yl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(2-methylpyrrolidin-1-yl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID134293765
Molecular FormulaC23H28F3N5
Molecular Weight431.51 g/mol
Exact Mass431.23
IUPAC Name6-(2-methylpyrrolidin-1-yl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESC=C(C)N1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CCCC3C)c2)C1
InChIInChI=1S/C23H28F3N5/c1-15(2)30-10-7-17(14-30)18-11-21(29-22(12-18)31-9-4-5-16(31)3)28-20-13-19(6-8-27-20)23(24,25)26/h6,8,11-13,16-17H,1,4-5,7,9-10,14H2,2-3H3,(H,27,28,29)
InChIKeyKRZNVRIZIXRMGA-UHFFFAOYSA-N
XLogP5.55
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.51
LogP ≤ 55.55
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-prop-1-en-2-ylpyrrolidin-3-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 6-(2-methylpyrrolidin-1-yl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (CID 134293765) is 6-(2-methylpyrrolidin-1-yl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 6-(2-methylpyrrolidin-1-yl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 6-(2-methylpyrrolidin-1-yl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is C=C(C)N1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CCCC3C)c2)C1.
What is the InChIKey of 6-(2-methylpyrrolidin-1-yl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is KRZNVRIZIXRMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N5/c1-15(2)30-10-7-17(14-30)18-11-21(29-22(12-18)31-9-4-5-16(31)3)28-20-13-19(6-8-27-20)23(24,25)26/h6,8,11-13,16-17H,1,4-5,7,9-10,14H2,2-3H3,(H,27,28,29).
What are the key properties of 6-(2-methylpyrrolidin-1-yl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
6-(2-methylpyrrolidin-1-yl)-4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 431.51 g/mol, XLogP of 5.55, 5 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-prop-1-en-2-ylpyrrolidin-3-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 134293765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).