7-fluoro-1-[2-[4-methyl-4-(pyridin-3-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one

C22H26FN5O — CID 69281843

IUPAC7-fluoro-1-[2-[4-methyl-4-(pyridin-3-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
SMILESCC1(NCc2cccnc2)CCN(CCn2c(=O)ccc3ncc(F)cc32)CC1
InChIInChI=1S/C22H26FN5O/c1-22(26-15-17-3-2-8-24-14-17)6-9-27(10-7-22)11-12-28-20-13-18(23)16-25-19(20)4-5-21(28)29/h2-5,8,13-14,16,26H,6-7,9-12,15H2,1H3
InChIKeyAUIDBSSLPIUTEI-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.57
Rot. Bonds6

About 7-fluoro-1-[2-[4-methyl-4-(pyridin-3-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one

7-fluoro-1-[2-[4-methyl-4-(pyridin-3-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one (PubChem CID 69281843) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 7-fluoro-1-[2-[4-methyl-4-(pyridin-3-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-fluoro-1-[2-[4-methyl-4-(pyridin-3-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
PubChem CID69281843
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name7-fluoro-1-[2-[4-methyl-4-(pyridin-3-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
SMILESCC1(NCc2cccnc2)CCN(CCn2c(=O)ccc3ncc(F)cc32)CC1
InChIInChI=1S/C22H26FN5O/c1-22(26-15-17-3-2-8-24-14-17)6-9-27(10-7-22)11-12-28-20-13-18(23)16-25-19(20)4-5-21(28)29/h2-5,8,13-14,16,26H,6-7,9-12,15H2,1H3
InChIKeyAUIDBSSLPIUTEI-UHFFFAOYSA-N
XLogP2.57
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[2-[4-methyl-4-(pyridin-3-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The IUPAC name of 7-fluoro-1-[2-[4-methyl-4-(pyridin-3-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one (CID 69281843) is 7-fluoro-1-[2-[4-methyl-4-(pyridin-3-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-fluoro-1-[2-[4-methyl-4-(pyridin-3-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The canonical SMILES for 7-fluoro-1-[2-[4-methyl-4-(pyridin-3-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one is CC1(NCc2cccnc2)CCN(CCn2c(=O)ccc3ncc(F)cc32)CC1.
What is the InChIKey of 7-fluoro-1-[2-[4-methyl-4-(pyridin-3-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The InChIKey is AUIDBSSLPIUTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-22(26-15-17-3-2-8-24-14-17)6-9-27(10-7-22)11-12-28-20-13-18(23)16-25-19(20)4-5-21(28)29/h2-5,8,13-14,16,26H,6-7,9-12,15H2,1H3.
What are the key properties of 7-fluoro-1-[2-[4-methyl-4-(pyridin-3-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
7-fluoro-1-[2-[4-methyl-4-(pyridin-3-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one has a molecular weight of 395.48 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-[2-[4-methyl-4-(pyridin-3-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one is sourced from PubChem (CID 69281843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).