2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-N-pyridin-2-yl-1,5-naphthyridine-4-carboxamide

C27H19FN6O2 — CID 171035831

IUPAC2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-N-pyridin-2-yl-1,5-naphthyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(-c2cc(C(=O)Nc3ccccn3)c3ncccc3n2)cc1
InChIInChI=1S/C27H19FN6O2/c28-18-8-12-20(13-9-18)32-27(36)31-19-10-6-17(7-11-19)23-16-21(25-22(33-23)4-3-15-30-25)26(35)34-24-5-1-2-14-29-24/h1-16H,(H,29,34,35)(H2,31,32,36)
InChIKeyFLTXRYACCQRMSB-UHFFFAOYSA-N
MW478.49 g/mol
LogP5.73
Rot. Bonds5

About 2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-N-pyridin-2-yl-1,5-naphthyridine-4-carboxamide

2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-N-pyridin-2-yl-1,5-naphthyridine-4-carboxamide (PubChem CID 171035831) has the molecular formula C27H19FN6O2 and a molecular weight of 478.49 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-N-pyridin-2-yl-1,5-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-N-pyridin-2-yl-1,5-naphthyridine-4-carboxamide
PubChem CID171035831
Molecular FormulaC27H19FN6O2
Molecular Weight478.49 g/mol
Exact Mass478.16
IUPAC Name2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-N-pyridin-2-yl-1,5-naphthyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(-c2cc(C(=O)Nc3ccccn3)c3ncccc3n2)cc1
InChIInChI=1S/C27H19FN6O2/c28-18-8-12-20(13-9-18)32-27(36)31-19-10-6-17(7-11-19)23-16-21(25-22(33-23)4-3-15-30-25)26(35)34-24-5-1-2-14-29-24/h1-16H,(H,29,34,35)(H2,31,32,36)
InChIKeyFLTXRYACCQRMSB-UHFFFAOYSA-N
XLogP5.73
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.49
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-N-pyridin-2-yl-1,5-naphthyridine-4-carboxamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-N-pyridin-2-yl-1,5-naphthyridine-4-carboxamide (CID 171035831) is 2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-N-pyridin-2-yl-1,5-naphthyridine-4-carboxamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-N-pyridin-2-yl-1,5-naphthyridine-4-carboxamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-N-pyridin-2-yl-1,5-naphthyridine-4-carboxamide is O=C(Nc1ccc(F)cc1)Nc1ccc(-c2cc(C(=O)Nc3ccccn3)c3ncccc3n2)cc1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-N-pyridin-2-yl-1,5-naphthyridine-4-carboxamide?
The InChIKey is FLTXRYACCQRMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN6O2/c28-18-8-12-20(13-9-18)32-27(36)31-19-10-6-17(7-11-19)23-16-21(25-22(33-23)4-3-15-30-25)26(35)34-24-5-1-2-14-29-24/h1-16H,(H,29,34,35)(H2,31,32,36).
What are the key properties of 2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-N-pyridin-2-yl-1,5-naphthyridine-4-carboxamide?
2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-N-pyridin-2-yl-1,5-naphthyridine-4-carboxamide has a molecular weight of 478.49 g/mol, XLogP of 5.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-N-pyridin-2-yl-1,5-naphthyridine-4-carboxamide is sourced from PubChem (CID 171035831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).