1-[2-[4-[2-[(E)-[(3E)-3-(aminomethylidene)-1,4-dioxan-2-ylidene]methyl]prop-2-enylamino]piperidin-1-yl]ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one

C26H34FN5O3 — CID 89224533

IUPAC1-[2-[4-[2-[(E)-[(3E)-3-(aminomethylidene)-1,4-dioxan-2-ylidene]methyl]prop-2-enylamino]piperidin-1-yl]ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one
SMILESC=C(/C=C1/OCCO/C1=C/N)CNC1CCN(CCn2c(=O)ccc3ncc(F)c(CC)c32)CC1
InChIInChI=1S/C26H34FN5O3/c1-3-20-21(27)17-30-22-4-5-25(33)32(26(20)22)11-10-31-8-6-19(7-9-31)29-16-18(2)14-23-24(15-28)35-13-12-34-23/h4-5,14-15,17,19,29H,2-3,6-13,16,28H2,1H3/b23-14+,24-15-
InChIKeyWNWGLYRSPRDIKD-KZSQTELISA-N
MW483.59 g/mol
LogP2.44
Rot. Bonds8

About 1-[2-[4-[2-[(E)-[(3E)-3-(aminomethylidene)-1,4-dioxan-2-ylidene]methyl]prop-2-enylamino]piperidin-1-yl]ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one

1-[2-[4-[2-[(E)-[(3E)-3-(aminomethylidene)-1,4-dioxan-2-ylidene]methyl]prop-2-enylamino]piperidin-1-yl]ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one (PubChem CID 89224533) has the molecular formula C26H34FN5O3 and a molecular weight of 483.59 g/mol. Its IUPAC name is 1-[2-[4-[2-[(E)-[(3E)-3-(aminomethylidene)-1,4-dioxan-2-ylidene]methyl]prop-2-enylamino]piperidin-1-yl]ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[2-[(E)-[(3E)-3-(aminomethylidene)-1,4-dioxan-2-ylidene]methyl]prop-2-enylamino]piperidin-1-yl]ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one
PubChem CID89224533
Molecular FormulaC26H34FN5O3
Molecular Weight483.59 g/mol
Exact Mass483.26
IUPAC Name1-[2-[4-[2-[(E)-[(3E)-3-(aminomethylidene)-1,4-dioxan-2-ylidene]methyl]prop-2-enylamino]piperidin-1-yl]ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one
SMILESC=C(/C=C1/OCCO/C1=C/N)CNC1CCN(CCn2c(=O)ccc3ncc(F)c(CC)c32)CC1
InChIInChI=1S/C26H34FN5O3/c1-3-20-21(27)17-30-22-4-5-25(33)32(26(20)22)11-10-31-8-6-19(7-9-31)29-16-18(2)14-23-24(15-28)35-13-12-34-23/h4-5,14-15,17,19,29H,2-3,6-13,16,28H2,1H3/b23-14+,24-15-
InChIKeyWNWGLYRSPRDIKD-KZSQTELISA-N
XLogP2.44
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-[4-[2-[(E)-[(3E)-3-(aminomethylidene)-1,4-dioxan-2-ylidene]methyl]prop-2-enylamino]piperidin-1-yl]ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one with MolForge

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Related Compounds

1-[2-[4-[(3-Fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
CID 44194742
5-[[[(3R,4S)-1-[(5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]-3-methoxypiperidin-4-yl]amino]methyl]-2,3,5,6-tetrahydro-1-benzofuran-7-carbonitrile
CID 57707480
7-Fluoro-1-[2-[4-[(5-fluoro-2,6-dimethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
CID 57815178
7-Fluoro-1-[2-[4-[(5-fluoro-6-methyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
CID 57815408
1-[2-[4-[(5,6-Dimethyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
CID 67995955
7-Fluoro-1-[2-[4-[(6-fluoro-5-methyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
CID 67996015
8-[[(4-Aminocyclohexyl)amino]methyl]-7-fluoro-1-methyl-1,5-naphthyridin-2-one
CID 68618895
6-[(4-Amino-1-piperidinyl)methyl]-3-fluoro-5,6-dihydro-4H,8H-pyrido[3,2,1-de]-1,5-naphthyridin-8-one
CID 68713868
1-[2-(4-amino-1-piperidinyl)ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2(1H)-one
CID 68810511
[1-[2-(8-Ethyl-7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 68994019
7-Fluoro-1-[2-[4-methyl-4-(pyridin-3-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
CID 69281843
1-[2-[4-[(3-Fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one
CID 70660269

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-[(E)-[(3E)-3-(aminomethylidene)-1,4-dioxan-2-ylidene]methyl]prop-2-enylamino]piperidin-1-yl]ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-[4-[2-[(E)-[(3E)-3-(aminomethylidene)-1,4-dioxan-2-ylidene]methyl]prop-2-enylamino]piperidin-1-yl]ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one (CID 89224533) is 1-[2-[4-[2-[(E)-[(3E)-3-(aminomethylidene)-1,4-dioxan-2-ylidene]methyl]prop-2-enylamino]piperidin-1-yl]ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[4-[2-[(E)-[(3E)-3-(aminomethylidene)-1,4-dioxan-2-ylidene]methyl]prop-2-enylamino]piperidin-1-yl]ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-[4-[2-[(E)-[(3E)-3-(aminomethylidene)-1,4-dioxan-2-ylidene]methyl]prop-2-enylamino]piperidin-1-yl]ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one is C=C(/C=C1/OCCO/C1=C/N)CNC1CCN(CCn2c(=O)ccc3ncc(F)c(CC)c32)CC1.
What is the InChIKey of 1-[2-[4-[2-[(E)-[(3E)-3-(aminomethylidene)-1,4-dioxan-2-ylidene]methyl]prop-2-enylamino]piperidin-1-yl]ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one?
The InChIKey is WNWGLYRSPRDIKD-KZSQTELISA-N. The full InChI is InChI=1S/C26H34FN5O3/c1-3-20-21(27)17-30-22-4-5-25(33)32(26(20)22)11-10-31-8-6-19(7-9-31)29-16-18(2)14-23-24(15-28)35-13-12-34-23/h4-5,14-15,17,19,29H,2-3,6-13,16,28H2,1H3/b23-14+,24-15-.
What are the key properties of 1-[2-[4-[2-[(E)-[(3E)-3-(aminomethylidene)-1,4-dioxan-2-ylidene]methyl]prop-2-enylamino]piperidin-1-yl]ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one?
1-[2-[4-[2-[(E)-[(3E)-3-(aminomethylidene)-1,4-dioxan-2-ylidene]methyl]prop-2-enylamino]piperidin-1-yl]ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one has a molecular weight of 483.59 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-[(E)-[(3E)-3-(aminomethylidene)-1,4-dioxan-2-ylidene]methyl]prop-2-enylamino]piperidin-1-yl]ethyl]-8-ethyl-7-fluoro-1,5-naphthyridin-2-one is sourced from PubChem (CID 89224533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).