4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carboxamide

C23H24F3N7O — CID 70983707

IUPAC4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carboxamide
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(N)=O)CC3)nc2)c1
InChIInChI=1S/C23H24F3N7O/c1-14-10-18(31-21(11-14)32-20-12-16(4-7-28-20)23(24,25)26)15-2-3-19(29-13-15)30-17-5-8-33(9-6-17)22(27)34/h2-4,7,10-13,17H,5-6,8-9H2,1H3,(H2,27,34)(H,29,30)(H,28,31,32)
InChIKeyINZDITUHTBQJQI-UHFFFAOYSA-N
MW471.49 g/mol
LogP4.56
Rot. Bonds5

About 4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carboxamide

4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carboxamide (PubChem CID 70983707) has the molecular formula C23H24F3N7O and a molecular weight of 471.49 g/mol. Its IUPAC name is 4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carboxamide
PubChem CID70983707
Molecular FormulaC23H24F3N7O
Molecular Weight471.49 g/mol
Exact Mass471.20
IUPAC Name4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carboxamide
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(N)=O)CC3)nc2)c1
InChIInChI=1S/C23H24F3N7O/c1-14-10-18(31-21(11-14)32-20-12-16(4-7-28-20)23(24,25)26)15-2-3-19(29-13-15)30-17-5-8-33(9-6-17)22(27)34/h2-4,7,10-13,17H,5-6,8-9H2,1H3,(H2,27,34)(H,29,30)(H,28,31,32)
InChIKeyINZDITUHTBQJQI-UHFFFAOYSA-N
XLogP4.56
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carboxamide?
The IUPAC name of 4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carboxamide (CID 70983707) is 4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carboxamide?
The canonical SMILES for 4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carboxamide is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(N)=O)CC3)nc2)c1.
What is the InChIKey of 4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carboxamide?
The InChIKey is INZDITUHTBQJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7O/c1-14-10-18(31-21(11-14)32-20-12-16(4-7-28-20)23(24,25)26)15-2-3-19(29-13-15)30-17-5-8-33(9-6-17)22(27)34/h2-4,7,10-13,17H,5-6,8-9H2,1H3,(H2,27,34)(H,29,30)(H,28,31,32).
What are the key properties of 4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carboxamide?
4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carboxamide has a molecular weight of 471.49 g/mol, XLogP of 4.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 70983707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).