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

C25H24FN7O — CID 53372596

IUPACN-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc(Nc3cc(-c4ccccc4F)nc4ncccc34)ncn2)CC1
InChIInChI=1S/C25H24FN7O/c1-33-11-8-16(9-12-33)25(34)32-23-14-22(28-15-29-23)30-21-13-20(17-5-2-3-7-19(17)26)31-24-18(21)6-4-10-27-24/h2-7,10,13-16H,8-9,11-12H2,1H3,(H2,27,28,29,30,31,32,34)
InChIKeyJZPCXQFQUZVOSI-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.25
Rot. Bonds5

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

N-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 53372596) has the molecular formula C25H24FN7O and a molecular weight of 457.51 g/mol. Its IUPAC name is N-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide
PubChem CID53372596
Molecular FormulaC25H24FN7O
Molecular Weight457.51 g/mol
Exact Mass457.20
IUPAC NameN-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc(Nc3cc(-c4ccccc4F)nc4ncccc34)ncn2)CC1
InChIInChI=1S/C25H24FN7O/c1-33-11-8-16(9-12-33)25(34)32-23-14-22(28-15-29-23)30-21-13-20(17-5-2-3-7-19(17)26)31-24-18(21)6-4-10-27-24/h2-7,10,13-16H,8-9,11-12H2,1H3,(H2,27,28,29,30,31,32,34)
InChIKeyJZPCXQFQUZVOSI-UHFFFAOYSA-N
XLogP4.25
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide (CID 53372596) is N-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2cc(Nc3cc(-c4ccccc4F)nc4ncccc34)ncn2)CC1.
What is the InChIKey of N-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide?
The InChIKey is JZPCXQFQUZVOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O/c1-33-11-8-16(9-12-33)25(34)32-23-14-22(28-15-29-23)30-21-13-20(17-5-2-3-7-19(17)26)31-24-18(21)6-4-10-27-24/h2-7,10,13-16H,8-9,11-12H2,1H3,(H2,27,28,29,30,31,32,34).
What are the key properties of N-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide?
N-[6-[[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 53372596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).