3-amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide

C22H20ClF3N6O — CID 71063732

IUPAC3-amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESNc1ccc(-c2ncc(C(F)(F)F)cc2Cl)nc1C(=O)Nc1cnccc1N1CCCCC1
InChIInChI=1S/C22H20ClF3N6O/c23-14-10-13(22(24,25)26)11-29-19(14)16-5-4-15(27)20(30-16)21(33)31-17-12-28-7-6-18(17)32-8-2-1-3-9-32/h4-7,10-12H,1-3,8-9,27H2,(H,31,33)
InChIKeyDZESKAGICBIQQS-UHFFFAOYSA-N
MW476.89 g/mol
LogP5.04
Rot. Bonds4

About 3-amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide

3-amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 71063732) has the molecular formula C22H20ClF3N6O and a molecular weight of 476.89 g/mol. Its IUPAC name is 3-amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID71063732
Molecular FormulaC22H20ClF3N6O
Molecular Weight476.89 g/mol
Exact Mass476.13
IUPAC Name3-amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESNc1ccc(-c2ncc(C(F)(F)F)cc2Cl)nc1C(=O)Nc1cnccc1N1CCCCC1
InChIInChI=1S/C22H20ClF3N6O/c23-14-10-13(22(24,25)26)11-29-19(14)16-5-4-15(27)20(30-16)21(33)31-17-12-28-7-6-18(17)32-8-2-1-3-9-32/h4-7,10-12H,1-3,8-9,27H2,(H,31,33)
InChIKeyDZESKAGICBIQQS-UHFFFAOYSA-N
XLogP5.04
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.89
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide (CID 71063732) is 3-amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide is Nc1ccc(-c2ncc(C(F)(F)F)cc2Cl)nc1C(=O)Nc1cnccc1N1CCCCC1.
What is the InChIKey of 3-amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is DZESKAGICBIQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N6O/c23-14-10-13(22(24,25)26)11-29-19(14)16-5-4-15(27)20(30-16)21(33)31-17-12-28-7-6-18(17)32-8-2-1-3-9-32/h4-7,10-12H,1-3,8-9,27H2,(H,31,33).
What are the key properties of 3-amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
3-amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 476.89 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-piperidin-1-yl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 71063732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).