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

C28H35FN8O2 — CID 46917091

IUPAC6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESCCNc1nc(-c2ccc(NC(=O)NCc3ccc(N)nc3)c(F)c2)ccc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C28H35FN8O2/c1-2-31-26-21(27(38)32-12-15-37-13-4-3-5-14-37)8-10-23(35-26)20-7-9-24(22(29)16-20)36-28(39)34-18-19-6-11-25(30)33-17-19/h6-11,16-17H,2-5,12-15,18H2,1H3,(H2,30,33)(H,31,35)(H,32,38)(H2,34,36,39)
InChIKeyJXVZQJNZEWWAKF-UHFFFAOYSA-N
MW534.64 g/mol
LogP3.83
Rot. Bonds10

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

6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 46917091) has the molecular formula C28H35FN8O2 and a molecular weight of 534.64 g/mol. Its IUPAC name is 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID46917091
Molecular FormulaC28H35FN8O2
Molecular Weight534.64 g/mol
Exact Mass534.29
IUPAC Name6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESCCNc1nc(-c2ccc(NC(=O)NCc3ccc(N)nc3)c(F)c2)ccc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C28H35FN8O2/c1-2-31-26-21(27(38)32-12-15-37-13-4-3-5-14-37)8-10-23(35-26)20-7-9-24(22(29)16-20)36-28(39)34-18-19-6-11-25(30)33-17-19/h6-11,16-17H,2-5,12-15,18H2,1H3,(H2,30,33)(H,31,35)(H,32,38)(H2,34,36,39)
InChIKeyJXVZQJNZEWWAKF-UHFFFAOYSA-N
XLogP3.83
TPSA137.30 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.64
LogP ≤ 53.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-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-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (CID 46917091) is 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is CCNc1nc(-c2ccc(NC(=O)NCc3ccc(N)nc3)c(F)c2)ccc1C(=O)NCCN1CCCCC1.
What is the InChIKey of 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is JXVZQJNZEWWAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN8O2/c1-2-31-26-21(27(38)32-12-15-37-13-4-3-5-14-37)8-10-23(35-26)20-7-9-24(22(29)16-20)36-28(39)34-18-19-6-11-25(30)33-17-19/h6-11,16-17H,2-5,12-15,18H2,1H3,(H2,30,33)(H,31,35)(H,32,38)(H2,34,36,39).
What are the key properties of 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 534.64 g/mol, XLogP of 3.83, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 46917091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).