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

C22H24FN7O2 — CID 77420782

IUPAC3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(2-methoxy-3-pyridinyl)pyridine-2-carboxamide
SMILESCOc1ncccc1-c1nc(C(=O)Nc2cnccc2N2CCCC(N)C2)c(N)cc1F
InChIInChI=1S/C22H24FN7O2/c1-32-22-14(5-2-7-27-22)19-15(23)10-16(25)20(29-19)21(31)28-17-11-26-8-6-18(17)30-9-3-4-13(24)12-30/h2,5-8,10-11,13H,3-4,9,12,24-25H2,1H3,(H,28,31)
InChIKeyDYHPOAUZKNEXBQ-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.45
Rot. Bonds5

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

3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(2-methoxy-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 77420782) has the molecular formula C22H24FN7O2 and a molecular weight of 437.48 g/mol. Its IUPAC name is 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(2-methoxy-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(2-methoxy-3-pyridinyl)pyridine-2-carboxamide
PubChem CID77420782
Molecular FormulaC22H24FN7O2
Molecular Weight437.48 g/mol
Exact Mass437.20
IUPAC Name3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(2-methoxy-3-pyridinyl)pyridine-2-carboxamide
SMILESCOc1ncccc1-c1nc(C(=O)Nc2cnccc2N2CCCC(N)C2)c(N)cc1F
InChIInChI=1S/C22H24FN7O2/c1-32-22-14(5-2-7-27-22)19-15(23)10-16(25)20(29-19)21(31)28-17-11-26-8-6-18(17)30-9-3-4-13(24)12-30/h2,5-8,10-11,13H,3-4,9,12,24-25H2,1H3,(H,28,31)
InChIKeyDYHPOAUZKNEXBQ-UHFFFAOYSA-N
XLogP2.45
TPSA132.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(2-methoxy-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(2-methoxy-3-pyridinyl)pyridine-2-carboxamide (CID 77420782) is 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(2-methoxy-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(2-methoxy-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(2-methoxy-3-pyridinyl)pyridine-2-carboxamide is COc1ncccc1-c1nc(C(=O)Nc2cnccc2N2CCCC(N)C2)c(N)cc1F.
What is the InChIKey of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(2-methoxy-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is DYHPOAUZKNEXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O2/c1-32-22-14(5-2-7-27-22)19-15(23)10-16(25)20(29-19)21(31)28-17-11-26-8-6-18(17)30-9-3-4-13(24)12-30/h2,5-8,10-11,13H,3-4,9,12,24-25H2,1H3,(H,28,31).
What are the key properties of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(2-methoxy-3-pyridinyl)pyridine-2-carboxamide?
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(2-methoxy-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(2-methoxy-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 77420782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).