6-[4-[(5-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-(ethylamino)-6-[3-fluoro-4-[(5-fluoro-3-pyridinyl)methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

C56H68F3N15O4 — CID 87115035

IUPAC6-[4-[(5-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-(ethylamino)-6-[3-fluoro-4-[(5-fluoro-3-pyridinyl)methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESCCNc1nc(-c2ccc(NC(=O)NCc3cncc(F)c3)c(F)c2)ccc1C(=O)NCCN1CCCCC1.CCNc1nc(-c2ccc(NC(=O)NCc3cncc(N)c3)c(F)c2)ccc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C28H33F2N7O2.C28H35FN8O2/c1-2-32-26-22(27(38)33-10-13-37-11-4-3-5-12-37)7-9-24(35-26)20-6-8-25(23(30)15-20)36-28(39)34-17-19-14-21(29)18-31-16-19;1-2-32-26-22(27(38)33-10-13-37-11-4-3-5-12-37)7-9-24(35-26)20-6-8-25(23(29)15-20)36-28(39)34-17-19-14-21(30)18-31-16-19/h6-9,14-16,18H,2-5,10-13,17H2,1H3,(H,32,35)(H,33,38)(H2,34,36,39);6-9,14-16,18H,2-5,10-13,17,30H2,1H3,(H,32,35)(H,33,38)(H2,34,36,39)
InChIKeyGNRBAILJJPDOPO-UHFFFAOYSA-N
MW1072.25 g/mol
LogP8.23
Rot. Bonds20

About 6-[4-[(5-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-(ethylamino)-6-[3-fluoro-4-[(5-fluoro-3-pyridinyl)methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

6-[4-[(5-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-(ethylamino)-6-[3-fluoro-4-[(5-fluoro-3-pyridinyl)methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 87115035) has the molecular formula C56H68F3N15O4 and a molecular weight of 1072.25 g/mol. Its IUPAC name is 6-[4-[(5-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-(ethylamino)-6-[3-fluoro-4-[(5-fluoro-3-pyridinyl)methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(5-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-(ethylamino)-6-[3-fluoro-4-[(5-fluoro-3-pyridinyl)methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID87115035
Molecular FormulaC56H68F3N15O4
Molecular Weight1072.25 g/mol
Exact Mass1071.55
IUPAC Name6-[4-[(5-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-(ethylamino)-6-[3-fluoro-4-[(5-fluoro-3-pyridinyl)methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESCCNc1nc(-c2ccc(NC(=O)NCc3cncc(F)c3)c(F)c2)ccc1C(=O)NCCN1CCCCC1.CCNc1nc(-c2ccc(NC(=O)NCc3cncc(N)c3)c(F)c2)ccc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C28H33F2N7O2.C28H35FN8O2/c1-2-32-26-22(27(38)33-10-13-37-11-4-3-5-12-37)7-9-24(35-26)20-6-8-25(23(30)15-20)36-28(39)34-17-19-14-21(29)18-31-16-19;1-2-32-26-22(27(38)33-10-13-37-11-4-3-5-12-37)7-9-24(35-26)20-6-8-25(23(29)15-20)36-28(39)34-17-19-14-21(30)18-31-16-19/h6-9,14-16,18H,2-5,10-13,17H2,1H3,(H,32,35)(H,33,38)(H2,34,36,39);6-9,14-16,18H,2-5,10-13,17,30H2,1H3,(H,32,35)(H,33,38)(H2,34,36,39)
InChIKeyGNRBAILJJPDOPO-UHFFFAOYSA-N
XLogP8.23
TPSA248.58 Ų
H-Bond Donors9
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms78
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001072.25
LogP ≤ 58.23
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1013

Analyze 6-[4-[(5-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-(ethylamino)-6-[3-fluoro-4-[(5-fluoro-3-pyridinyl)methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-(ethylamino)-6-[3-fluoro-4-[(5-fluoro-3-pyridinyl)methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-[(5-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-(ethylamino)-6-[3-fluoro-4-[(5-fluoro-3-pyridinyl)methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (CID 87115035) is 6-[4-[(5-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-(ethylamino)-6-[3-fluoro-4-[(5-fluoro-3-pyridinyl)methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(5-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-(ethylamino)-6-[3-fluoro-4-[(5-fluoro-3-pyridinyl)methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(5-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-(ethylamino)-6-[3-fluoro-4-[(5-fluoro-3-pyridinyl)methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is CCNc1nc(-c2ccc(NC(=O)NCc3cncc(F)c3)c(F)c2)ccc1C(=O)NCCN1CCCCC1.CCNc1nc(-c2ccc(NC(=O)NCc3cncc(N)c3)c(F)c2)ccc1C(=O)NCCN1CCCCC1.
What is the InChIKey of 6-[4-[(5-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-(ethylamino)-6-[3-fluoro-4-[(5-fluoro-3-pyridinyl)methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is GNRBAILJJPDOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F2N7O2.C28H35FN8O2/c1-2-32-26-22(27(38)33-10-13-37-11-4-3-5-12-37)7-9-24(35-26)20-6-8-25(23(30)15-20)36-28(39)34-17-19-14-21(29)18-31-16-19;1-2-32-26-22(27(38)33-10-13-37-11-4-3-5-12-37)7-9-24(35-26)20-6-8-25(23(29)15-20)36-28(39)34-17-19-14-21(30)18-31-16-19/h6-9,14-16,18H,2-5,10-13,17H2,1H3,(H,32,35)(H,33,38)(H2,34,36,39);6-9,14-16,18H,2-5,10-13,17,30H2,1H3,(H,32,35)(H,33,38)(H2,34,36,39).
What are the key properties of 6-[4-[(5-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-(ethylamino)-6-[3-fluoro-4-[(5-fluoro-3-pyridinyl)methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
6-[4-[(5-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-(ethylamino)-6-[3-fluoro-4-[(5-fluoro-3-pyridinyl)methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 1072.25 g/mol, XLogP of 8.23, 20 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-(ethylamino)-6-[3-fluoro-4-[(5-fluoro-3-pyridinyl)methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 87115035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).