4-methyl-6-[6-(piperidin-4-ylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

C22H23F3N6 — CID 86732000

IUPAC4-methyl-6-[6-(piperidin-4-ylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCNCC3)nc2)c1
InChIInChI=1S/C22H23F3N6/c1-14-10-18(15-2-3-19(28-13-15)29-17-5-7-26-8-6-17)30-21(11-14)31-20-12-16(4-9-27-20)22(23,24)25/h2-4,9-13,17,26H,5-8H2,1H3,(H,28,29)(H,27,30,31)
InChIKeyKQVWIBSZOVMZBN-UHFFFAOYSA-N
MW428.46 g/mol
LogP4.77
Rot. Bonds5

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

4-methyl-6-[6-(piperidin-4-ylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 86732000) has the molecular formula C22H23F3N6 and a molecular weight of 428.46 g/mol. Its IUPAC name is 4-methyl-6-[6-(piperidin-4-ylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[6-(piperidin-4-ylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID86732000
Molecular FormulaC22H23F3N6
Molecular Weight428.46 g/mol
Exact Mass428.19
IUPAC Name4-methyl-6-[6-(piperidin-4-ylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCNCC3)nc2)c1
InChIInChI=1S/C22H23F3N6/c1-14-10-18(15-2-3-19(28-13-15)29-17-5-7-26-8-6-17)30-21(11-14)31-20-12-16(4-9-27-20)22(23,24)25/h2-4,9-13,17,26H,5-8H2,1H3,(H,28,29)(H,27,30,31)
InChIKeyKQVWIBSZOVMZBN-UHFFFAOYSA-N
XLogP4.77
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[6-(piperidin-4-ylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 4-methyl-6-[6-(piperidin-4-ylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (CID 86732000) is 4-methyl-6-[6-(piperidin-4-ylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-6-[6-(piperidin-4-ylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-6-[6-(piperidin-4-ylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCNCC3)nc2)c1.
What is the InChIKey of 4-methyl-6-[6-(piperidin-4-ylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is KQVWIBSZOVMZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6/c1-14-10-18(15-2-3-19(28-13-15)29-17-5-7-26-8-6-17)30-21(11-14)31-20-12-16(4-9-27-20)22(23,24)25/h2-4,9-13,17,26H,5-8H2,1H3,(H,28,29)(H,27,30,31).
What are the key properties of 4-methyl-6-[6-(piperidin-4-ylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
4-methyl-6-[6-(piperidin-4-ylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 428.46 g/mol, XLogP of 4.77, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[6-(piperidin-4-ylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 86732000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).