4-fluoro-N-[(1R)-1-[5-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide

C23H23FN4O — CID 142580297

IUPAC4-fluoro-N-[(1R)-1-[5-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
SMILESCc1cc(N2CCCc3nc([C@@H](C)NC(=O)c4ccc(F)cc4)ccc32)ccn1
InChIInChI=1S/C23H23FN4O/c1-15-14-19(11-12-25-15)28-13-3-4-21-22(28)10-9-20(27-21)16(2)26-23(29)17-5-7-18(24)8-6-17/h5-12,14,16H,3-4,13H2,1-2H3,(H,26,29)/t16-/m1/s1
InChIKeyCCCUHVXQQKRIFV-MRXNPFEDSA-N
MW390.46 g/mol
LogP4.50
Rot. Bonds4

About 4-fluoro-N-[(1R)-1-[5-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide

4-fluoro-N-[(1R)-1-[5-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide (PubChem CID 142580297) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-fluoro-N-[(1R)-1-[5-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R)-1-[5-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
PubChem CID142580297
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name4-fluoro-N-[(1R)-1-[5-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
SMILESCc1cc(N2CCCc3nc([C@@H](C)NC(=O)c4ccc(F)cc4)ccc32)ccn1
InChIInChI=1S/C23H23FN4O/c1-15-14-19(11-12-25-15)28-13-3-4-21-22(28)10-9-20(27-21)16(2)26-23(29)17-5-7-18(24)8-6-17/h5-12,14,16H,3-4,13H2,1-2H3,(H,26,29)/t16-/m1/s1
InChIKeyCCCUHVXQQKRIFV-MRXNPFEDSA-N
XLogP4.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R)-1-[5-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1R)-1-[5-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide (CID 142580297) is 4-fluoro-N-[(1R)-1-[5-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1R)-1-[5-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1R)-1-[5-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide is Cc1cc(N2CCCc3nc([C@@H](C)NC(=O)c4ccc(F)cc4)ccc32)ccn1.
What is the InChIKey of 4-fluoro-N-[(1R)-1-[5-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide?
The InChIKey is CCCUHVXQQKRIFV-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-15-14-19(11-12-25-15)28-13-3-4-21-22(28)10-9-20(27-21)16(2)26-23(29)17-5-7-18(24)8-6-17/h5-12,14,16H,3-4,13H2,1-2H3,(H,26,29)/t16-/m1/s1.
What are the key properties of 4-fluoro-N-[(1R)-1-[5-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide?
4-fluoro-N-[(1R)-1-[5-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide has a molecular weight of 390.46 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R)-1-[5-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide is sourced from PubChem (CID 142580297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).