3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-ethoxy-2-fluorophenyl)pyridine-2-carboxamide

C24H27FN6O2 — CID 77420793

IUPAC3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-ethoxy-2-fluorophenyl)pyridine-2-carboxamide
SMILESCCOc1ccc(F)c(-c2ccc(N)c(C(=O)Nc3cnccc3N3CCCC(N)C3)n2)c1
InChIInChI=1S/C24H27FN6O2/c1-2-33-16-5-6-18(25)17(12-16)20-8-7-19(27)23(29-20)24(32)30-21-13-28-10-9-22(21)31-11-3-4-15(26)14-31/h5-10,12-13,15H,2-4,11,14,26-27H2,1H3,(H,30,32)
InChIKeyVATUDCSEXMLKCL-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.44
Rot. Bonds6

About 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-ethoxy-2-fluorophenyl)pyridine-2-carboxamide

3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-ethoxy-2-fluorophenyl)pyridine-2-carboxamide (PubChem CID 77420793) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-ethoxy-2-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-ethoxy-2-fluorophenyl)pyridine-2-carboxamide
PubChem CID77420793
Molecular FormulaC24H27FN6O2
Molecular Weight450.52 g/mol
Exact Mass450.22
IUPAC Name3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-ethoxy-2-fluorophenyl)pyridine-2-carboxamide
SMILESCCOc1ccc(F)c(-c2ccc(N)c(C(=O)Nc3cnccc3N3CCCC(N)C3)n2)c1
InChIInChI=1S/C24H27FN6O2/c1-2-33-16-5-6-18(25)17(12-16)20-8-7-19(27)23(29-20)24(32)30-21-13-28-10-9-22(21)31-11-3-4-15(26)14-31/h5-10,12-13,15H,2-4,11,14,26-27H2,1H3,(H,30,32)
InChIKeyVATUDCSEXMLKCL-UHFFFAOYSA-N
XLogP3.44
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-ethoxy-2-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-ethoxy-2-fluorophenyl)pyridine-2-carboxamide (CID 77420793) is 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-ethoxy-2-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-ethoxy-2-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-ethoxy-2-fluorophenyl)pyridine-2-carboxamide is CCOc1ccc(F)c(-c2ccc(N)c(C(=O)Nc3cnccc3N3CCCC(N)C3)n2)c1.
What is the InChIKey of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-ethoxy-2-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is VATUDCSEXMLKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O2/c1-2-33-16-5-6-18(25)17(12-16)20-8-7-19(27)23(29-20)24(32)30-21-13-28-10-9-22(21)31-11-3-4-15(26)14-31/h5-10,12-13,15H,2-4,11,14,26-27H2,1H3,(H,30,32).
What are the key properties of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-ethoxy-2-fluorophenyl)pyridine-2-carboxamide?
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-ethoxy-2-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-ethoxy-2-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 77420793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).