3-(4-fluoro-3-methylphenyl)-N-[2-[7-[2-[2-oxo-2-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylamino]ethyl]phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]propanamide

C38H43FN6O2 — CID 90867340

IUPAC3-(4-fluoro-3-methylphenyl)-N-[2-[7-[2-[2-oxo-2-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylamino]ethyl]phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]propanamide
SMILESCc1cc(CCC(=O)NCCc2ccc3c(n2)NC(c2ccccc2CC(=O)NCCc2ccc4c(n2)NCCC4)CC3)ccc1F
InChIInChI=1S/C38H43FN6O2/c1-25-23-26(8-15-33(25)39)9-17-35(46)40-21-18-31-14-11-28-12-16-34(45-38(28)44-31)32-7-3-2-5-29(32)24-36(47)41-22-19-30-13-10-27-6-4-20-42-37(27)43-30/h2-3,5,7-8,10-11,13-15,23,34H,4,6,9,12,16-22,24H2,1H3,(H,40,46)(H,41,47)(H,42,43)(H,44,45)
InChIKeyWTVXEFAXXAHZIZ-UHFFFAOYSA-N
MW634.80 g/mol
LogP5.57
Rot. Bonds12

About 3-(4-fluoro-3-methylphenyl)-N-[2-[7-[2-[2-oxo-2-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylamino]ethyl]phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]propanamide

3-(4-fluoro-3-methylphenyl)-N-[2-[7-[2-[2-oxo-2-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylamino]ethyl]phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]propanamide (PubChem CID 90867340) has the molecular formula C38H43FN6O2 and a molecular weight of 634.80 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-N-[2-[7-[2-[2-oxo-2-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylamino]ethyl]phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-N-[2-[7-[2-[2-oxo-2-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylamino]ethyl]phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]propanamide
PubChem CID90867340
Molecular FormulaC38H43FN6O2
Molecular Weight634.80 g/mol
Exact Mass634.34
IUPAC Name3-(4-fluoro-3-methylphenyl)-N-[2-[7-[2-[2-oxo-2-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylamino]ethyl]phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]propanamide
SMILESCc1cc(CCC(=O)NCCc2ccc3c(n2)NC(c2ccccc2CC(=O)NCCc2ccc4c(n2)NCCC4)CC3)ccc1F
InChIInChI=1S/C38H43FN6O2/c1-25-23-26(8-15-33(25)39)9-17-35(46)40-21-18-31-14-11-28-12-16-34(45-38(28)44-31)32-7-3-2-5-29(32)24-36(47)41-22-19-30-13-10-27-6-4-20-42-37(27)43-30/h2-3,5,7-8,10-11,13-15,23,34H,4,6,9,12,16-22,24H2,1H3,(H,40,46)(H,41,47)(H,42,43)(H,44,45)
InChIKeyWTVXEFAXXAHZIZ-UHFFFAOYSA-N
XLogP5.57
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.80
LogP ≤ 55.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-(4-fluoro-3-methylphenyl)-N-[2-[7-[2-[2-oxo-2-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylamino]ethyl]phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-[2-[7-[2-[2-oxo-2-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylamino]ethyl]phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]propanamide?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-[2-[7-[2-[2-oxo-2-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylamino]ethyl]phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]propanamide (CID 90867340) is 3-(4-fluoro-3-methylphenyl)-N-[2-[7-[2-[2-oxo-2-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylamino]ethyl]phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]propanamide.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-N-[2-[7-[2-[2-oxo-2-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylamino]ethyl]phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]propanamide?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-N-[2-[7-[2-[2-oxo-2-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylamino]ethyl]phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]propanamide is Cc1cc(CCC(=O)NCCc2ccc3c(n2)NC(c2ccccc2CC(=O)NCCc2ccc4c(n2)NCCC4)CC3)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-N-[2-[7-[2-[2-oxo-2-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylamino]ethyl]phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]propanamide?
The InChIKey is WTVXEFAXXAHZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43FN6O2/c1-25-23-26(8-15-33(25)39)9-17-35(46)40-21-18-31-14-11-28-12-16-34(45-38(28)44-31)32-7-3-2-5-29(32)24-36(47)41-22-19-30-13-10-27-6-4-20-42-37(27)43-30/h2-3,5,7-8,10-11,13-15,23,34H,4,6,9,12,16-22,24H2,1H3,(H,40,46)(H,41,47)(H,42,43)(H,44,45).
What are the key properties of 3-(4-fluoro-3-methylphenyl)-N-[2-[7-[2-[2-oxo-2-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylamino]ethyl]phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]propanamide?
3-(4-fluoro-3-methylphenyl)-N-[2-[7-[2-[2-oxo-2-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylamino]ethyl]phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]propanamide has a molecular weight of 634.80 g/mol, XLogP of 5.57, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-N-[2-[7-[2-[2-oxo-2-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylamino]ethyl]phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]propanamide is sourced from PubChem (CID 90867340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).