6-(2-aminohexan-3-ylamino)-5-fluoro-2-[[7-(2-methoxyethoxy)quinolin-3-yl]amino]pyridine-3-carboxamide

C24H31FN6O3 — CID 135305651

IUPAC6-(2-aminohexan-3-ylamino)-5-fluoro-2-[[7-(2-methoxyethoxy)quinolin-3-yl]amino]pyridine-3-carboxamide
SMILESCCCC(Nc1nc(Nc2cnc3cc(OCCOC)ccc3c2)c(C(N)=O)cc1F)C(C)N
InChIInChI=1S/C24H31FN6O3/c1-4-5-20(14(2)26)30-24-19(25)12-18(22(27)32)23(31-24)29-16-10-15-6-7-17(34-9-8-33-3)11-21(15)28-13-16/h6-7,10-14,20H,4-5,8-9,26H2,1-3H3,(H2,27,32)(H2,29,30,31)
InChIKeyGJCCSPMPTZIRSZ-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.56
Rot. Bonds12

About 6-(2-aminohexan-3-ylamino)-5-fluoro-2-[[7-(2-methoxyethoxy)quinolin-3-yl]amino]pyridine-3-carboxamide

6-(2-aminohexan-3-ylamino)-5-fluoro-2-[[7-(2-methoxyethoxy)quinolin-3-yl]amino]pyridine-3-carboxamide (PubChem CID 135305651) has the molecular formula C24H31FN6O3 and a molecular weight of 470.55 g/mol. Its IUPAC name is 6-(2-aminohexan-3-ylamino)-5-fluoro-2-[[7-(2-methoxyethoxy)quinolin-3-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-aminohexan-3-ylamino)-5-fluoro-2-[[7-(2-methoxyethoxy)quinolin-3-yl]amino]pyridine-3-carboxamide
PubChem CID135305651
Molecular FormulaC24H31FN6O3
Molecular Weight470.55 g/mol
Exact Mass470.24
IUPAC Name6-(2-aminohexan-3-ylamino)-5-fluoro-2-[[7-(2-methoxyethoxy)quinolin-3-yl]amino]pyridine-3-carboxamide
SMILESCCCC(Nc1nc(Nc2cnc3cc(OCCOC)ccc3c2)c(C(N)=O)cc1F)C(C)N
InChIInChI=1S/C24H31FN6O3/c1-4-5-20(14(2)26)30-24-19(25)12-18(22(27)32)23(31-24)29-16-10-15-6-7-17(34-9-8-33-3)11-21(15)28-13-16/h6-7,10-14,20H,4-5,8-9,26H2,1-3H3,(H2,27,32)(H2,29,30,31)
InChIKeyGJCCSPMPTZIRSZ-UHFFFAOYSA-N
XLogP3.56
TPSA137.41 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminohexan-3-ylamino)-5-fluoro-2-[[7-(2-methoxyethoxy)quinolin-3-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-(2-aminohexan-3-ylamino)-5-fluoro-2-[[7-(2-methoxyethoxy)quinolin-3-yl]amino]pyridine-3-carboxamide (CID 135305651) is 6-(2-aminohexan-3-ylamino)-5-fluoro-2-[[7-(2-methoxyethoxy)quinolin-3-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-aminohexan-3-ylamino)-5-fluoro-2-[[7-(2-methoxyethoxy)quinolin-3-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-aminohexan-3-ylamino)-5-fluoro-2-[[7-(2-methoxyethoxy)quinolin-3-yl]amino]pyridine-3-carboxamide is CCCC(Nc1nc(Nc2cnc3cc(OCCOC)ccc3c2)c(C(N)=O)cc1F)C(C)N.
What is the InChIKey of 6-(2-aminohexan-3-ylamino)-5-fluoro-2-[[7-(2-methoxyethoxy)quinolin-3-yl]amino]pyridine-3-carboxamide?
The InChIKey is GJCCSPMPTZIRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O3/c1-4-5-20(14(2)26)30-24-19(25)12-18(22(27)32)23(31-24)29-16-10-15-6-7-17(34-9-8-33-3)11-21(15)28-13-16/h6-7,10-14,20H,4-5,8-9,26H2,1-3H3,(H2,27,32)(H2,29,30,31).
What are the key properties of 6-(2-aminohexan-3-ylamino)-5-fluoro-2-[[7-(2-methoxyethoxy)quinolin-3-yl]amino]pyridine-3-carboxamide?
6-(2-aminohexan-3-ylamino)-5-fluoro-2-[[7-(2-methoxyethoxy)quinolin-3-yl]amino]pyridine-3-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 3.56, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminohexan-3-ylamino)-5-fluoro-2-[[7-(2-methoxyethoxy)quinolin-3-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 135305651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).