6-benzyl-N-(4-fluorophenyl)-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide

C27H29FN4O2 — CID 134808957

IUPAC6-benzyl-N-(4-fluorophenyl)-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide
SMILESCC1(C(=O)Nc2ccc(F)cc2)CN(Cc2ccccc2)Cc2ccc(N3CCOCC3)nc21
InChIInChI=1S/C27H29FN4O2/c1-27(26(33)29-23-10-8-22(28)9-11-23)19-31(17-20-5-3-2-4-6-20)18-21-7-12-24(30-25(21)27)32-13-15-34-16-14-32/h2-12H,13-19H2,1H3,(H,29,33)
InChIKeyORFZTFPPVKPYKQ-UHFFFAOYSA-N
MW460.55 g/mol
LogP3.97
Rot. Bonds5

About 6-benzyl-N-(4-fluorophenyl)-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide

6-benzyl-N-(4-fluorophenyl)-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide (PubChem CID 134808957) has the molecular formula C27H29FN4O2 and a molecular weight of 460.55 g/mol. Its IUPAC name is 6-benzyl-N-(4-fluorophenyl)-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide.

Molecular Properties

Compound Name6-benzyl-N-(4-fluorophenyl)-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide
PubChem CID134808957
Molecular FormulaC27H29FN4O2
Molecular Weight460.55 g/mol
Exact Mass460.23
IUPAC Name6-benzyl-N-(4-fluorophenyl)-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide
SMILESCC1(C(=O)Nc2ccc(F)cc2)CN(Cc2ccccc2)Cc2ccc(N3CCOCC3)nc21
InChIInChI=1S/C27H29FN4O2/c1-27(26(33)29-23-10-8-22(28)9-11-23)19-31(17-20-5-3-2-4-6-20)18-21-7-12-24(30-25(21)27)32-13-15-34-16-14-32/h2-12H,13-19H2,1H3,(H,29,33)
InChIKeyORFZTFPPVKPYKQ-UHFFFAOYSA-N
XLogP3.97
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-(4-fluorophenyl)-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide?
The IUPAC name of 6-benzyl-N-(4-fluorophenyl)-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide (CID 134808957) is 6-benzyl-N-(4-fluorophenyl)-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide.
What is the SMILES notation for 6-benzyl-N-(4-fluorophenyl)-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide?
The canonical SMILES for 6-benzyl-N-(4-fluorophenyl)-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide is CC1(C(=O)Nc2ccc(F)cc2)CN(Cc2ccccc2)Cc2ccc(N3CCOCC3)nc21.
What is the InChIKey of 6-benzyl-N-(4-fluorophenyl)-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide?
The InChIKey is ORFZTFPPVKPYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O2/c1-27(26(33)29-23-10-8-22(28)9-11-23)19-31(17-20-5-3-2-4-6-20)18-21-7-12-24(30-25(21)27)32-13-15-34-16-14-32/h2-12H,13-19H2,1H3,(H,29,33).
What are the key properties of 6-benzyl-N-(4-fluorophenyl)-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide?
6-benzyl-N-(4-fluorophenyl)-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide has a molecular weight of 460.55 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-(4-fluorophenyl)-8-methyl-2-morpholin-4-yl-5,7-dihydro-1,6-naphthyridine-8-carboxamide is sourced from PubChem (CID 134808957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).