7-(4,6-dimethylpyrimidine-5-carbonyl)-2-(4-fluorophenyl)-N-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

C23H22FN5O3 — CID 176505931

IUPAC7-(4,6-dimethylpyrimidine-5-carbonyl)-2-(4-fluorophenyl)-N-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCNC(=O)c1c2c(cn(-c3ccc(F)cc3)c1=O)CN(C(=O)c1c(C)ncnc1C)CC2
InChIInChI=1S/C23H22FN5O3/c1-13-19(14(2)27-12-26-13)22(31)28-9-8-18-15(10-28)11-29(17-6-4-16(24)5-7-17)23(32)20(18)21(30)25-3/h4-7,11-12H,8-10H2,1-3H3,(H,25,30)
InChIKeyMMTKOZFECFIBQE-UHFFFAOYSA-N
MW435.46 g/mol
LogP1.94
Rot. Bonds3

About 7-(4,6-dimethylpyrimidine-5-carbonyl)-2-(4-fluorophenyl)-N-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

7-(4,6-dimethylpyrimidine-5-carbonyl)-2-(4-fluorophenyl)-N-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (PubChem CID 176505931) has the molecular formula C23H22FN5O3 and a molecular weight of 435.46 g/mol. Its IUPAC name is 7-(4,6-dimethylpyrimidine-5-carbonyl)-2-(4-fluorophenyl)-N-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name7-(4,6-dimethylpyrimidine-5-carbonyl)-2-(4-fluorophenyl)-N-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
PubChem CID176505931
Molecular FormulaC23H22FN5O3
Molecular Weight435.46 g/mol
Exact Mass435.17
IUPAC Name7-(4,6-dimethylpyrimidine-5-carbonyl)-2-(4-fluorophenyl)-N-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCNC(=O)c1c2c(cn(-c3ccc(F)cc3)c1=O)CN(C(=O)c1c(C)ncnc1C)CC2
InChIInChI=1S/C23H22FN5O3/c1-13-19(14(2)27-12-26-13)22(31)28-9-8-18-15(10-28)11-29(17-6-4-16(24)5-7-17)23(32)20(18)21(30)25-3/h4-7,11-12H,8-10H2,1-3H3,(H,25,30)
InChIKeyMMTKOZFECFIBQE-UHFFFAOYSA-N
XLogP1.94
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4,6-dimethylpyrimidine-5-carbonyl)-2-(4-fluorophenyl)-N-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The IUPAC name of 7-(4,6-dimethylpyrimidine-5-carbonyl)-2-(4-fluorophenyl)-N-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (CID 176505931) is 7-(4,6-dimethylpyrimidine-5-carbonyl)-2-(4-fluorophenyl)-N-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.
What is the SMILES notation for 7-(4,6-dimethylpyrimidine-5-carbonyl)-2-(4-fluorophenyl)-N-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The canonical SMILES for 7-(4,6-dimethylpyrimidine-5-carbonyl)-2-(4-fluorophenyl)-N-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is CNC(=O)c1c2c(cn(-c3ccc(F)cc3)c1=O)CN(C(=O)c1c(C)ncnc1C)CC2.
What is the InChIKey of 7-(4,6-dimethylpyrimidine-5-carbonyl)-2-(4-fluorophenyl)-N-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The InChIKey is MMTKOZFECFIBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3/c1-13-19(14(2)27-12-26-13)22(31)28-9-8-18-15(10-28)11-29(17-6-4-16(24)5-7-17)23(32)20(18)21(30)25-3/h4-7,11-12H,8-10H2,1-3H3,(H,25,30).
What are the key properties of 7-(4,6-dimethylpyrimidine-5-carbonyl)-2-(4-fluorophenyl)-N-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
7-(4,6-dimethylpyrimidine-5-carbonyl)-2-(4-fluorophenyl)-N-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide has a molecular weight of 435.46 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,6-dimethylpyrimidine-5-carbonyl)-2-(4-fluorophenyl)-N-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is sourced from PubChem (CID 176505931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).