N-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-3,3-dimethylbutanamide

C24H23FN6O — CID 53372714

IUPACN-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cc(Nc2cc(-c3ccccc3F)nc3ncccc23)ncn1
InChIInChI=1S/C24H23FN6O/c1-24(2,3)13-22(32)31-21-12-20(27-14-28-21)29-19-11-18(15-7-4-5-9-17(15)25)30-23-16(19)8-6-10-26-23/h4-12,14H,13H2,1-3H3,(H2,26,27,28,29,30,31,32)
InChIKeyNVWUFJYLQZKTQG-UHFFFAOYSA-N
MW430.49 g/mol
LogP5.34
Rot. Bonds5

About N-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-3,3-dimethylbutanamide

N-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-3,3-dimethylbutanamide (PubChem CID 53372714) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is N-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-3,3-dimethylbutanamide
PubChem CID53372714
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC NameN-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cc(Nc2cc(-c3ccccc3F)nc3ncccc23)ncn1
InChIInChI=1S/C24H23FN6O/c1-24(2,3)13-22(32)31-21-12-20(27-14-28-21)29-19-11-18(15-7-4-5-9-17(15)25)30-23-16(19)8-6-10-26-23/h4-12,14H,13H2,1-3H3,(H2,26,27,28,29,30,31,32)
InChIKeyNVWUFJYLQZKTQG-UHFFFAOYSA-N
XLogP5.34
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.49
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-3,3-dimethylbutanamide (CID 53372714) is N-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1cc(Nc2cc(-c3ccccc3F)nc3ncccc23)ncn1.
What is the InChIKey of N-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-3,3-dimethylbutanamide?
The InChIKey is NVWUFJYLQZKTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-24(2,3)13-22(32)31-21-12-20(27-14-28-21)29-19-11-18(15-7-4-5-9-17(15)25)30-23-16(19)8-6-10-26-23/h4-12,14H,13H2,1-3H3,(H2,26,27,28,29,30,31,32).
What are the key properties of N-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-3,3-dimethylbutanamide?
N-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-3,3-dimethylbutanamide has a molecular weight of 430.49 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 53372714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).