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

C29H37FN8O2 — CID 46917324

IUPAC6-[4-[2-(6-amino-3-pyridinyl)ethylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESCCNc1nc(-c2ccc(NC(=O)NCCc3ccc(N)nc3)c(F)c2)ccc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C29H37FN8O2/c1-2-32-27-22(28(39)33-14-17-38-15-4-3-5-16-38)8-10-24(36-27)21-7-9-25(23(30)18-21)37-29(40)34-13-12-20-6-11-26(31)35-19-20/h6-11,18-19H,2-5,12-17H2,1H3,(H2,31,35)(H,32,36)(H,33,39)(H2,34,37,40)
InChIKeyZTESCGHGLYSWBI-UHFFFAOYSA-N
MW548.67 g/mol
LogP3.88
Rot. Bonds11

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

6-[4-[2-(6-amino-3-pyridinyl)ethylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 46917324) has the molecular formula C29H37FN8O2 and a molecular weight of 548.67 g/mol. Its IUPAC name is 6-[4-[2-(6-amino-3-pyridinyl)ethylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[2-(6-amino-3-pyridinyl)ethylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID46917324
Molecular FormulaC29H37FN8O2
Molecular Weight548.67 g/mol
Exact Mass548.30
IUPAC Name6-[4-[2-(6-amino-3-pyridinyl)ethylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESCCNc1nc(-c2ccc(NC(=O)NCCc3ccc(N)nc3)c(F)c2)ccc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C29H37FN8O2/c1-2-32-27-22(28(39)33-14-17-38-15-4-3-5-16-38)8-10-24(36-27)21-7-9-25(23(30)18-21)37-29(40)34-13-12-20-6-11-26(31)35-19-20/h6-11,18-19H,2-5,12-17H2,1H3,(H2,31,35)(H,32,36)(H,33,39)(H2,34,37,40)
InChIKeyZTESCGHGLYSWBI-UHFFFAOYSA-N
XLogP3.88
TPSA137.30 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.67
LogP ≤ 53.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(6-amino-3-pyridinyl)ethylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-[2-(6-amino-3-pyridinyl)ethylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (CID 46917324) is 6-[4-[2-(6-amino-3-pyridinyl)ethylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[2-(6-amino-3-pyridinyl)ethylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[2-(6-amino-3-pyridinyl)ethylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is CCNc1nc(-c2ccc(NC(=O)NCCc3ccc(N)nc3)c(F)c2)ccc1C(=O)NCCN1CCCCC1.
What is the InChIKey of 6-[4-[2-(6-amino-3-pyridinyl)ethylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is ZTESCGHGLYSWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37FN8O2/c1-2-32-27-22(28(39)33-14-17-38-15-4-3-5-16-38)8-10-24(36-27)21-7-9-25(23(30)18-21)37-29(40)34-13-12-20-6-11-26(31)35-19-20/h6-11,18-19H,2-5,12-17H2,1H3,(H2,31,35)(H,32,36)(H,33,39)(H2,34,37,40).
What are the key properties of 6-[4-[2-(6-amino-3-pyridinyl)ethylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
6-[4-[2-(6-amino-3-pyridinyl)ethylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 548.67 g/mol, XLogP of 3.88, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(6-amino-3-pyridinyl)ethylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 46917324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).